CID 129906380

(2r,3r,6r,8z,12z)-3-hydroxy-6,9,13-trimethyl-3-propan-2-yltricyclo[6.6.0.02,6]tetradeca-8,12-dien-14-one

Structural Information

Molecular Formula
C20H30O2
SMILES
C/C/1=C/2\C[C@]3(CC[C@]([C@@H]3C2C(=O)/C(=C\CC1)/C)(C(C)C)O)C
InChI
InChI=1S/C20H30O2/c1-12(2)20(22)10-9-19(5)11-15-13(3)7-6-8-14(4)17(21)16(15)18(19)20/h8,12,16,18,22H,6-7,9-11H2,1-5H3/b14-8-,15-13-/t16?,18-,19-,20-/m1/s1
InChIKey
DQOBFWSVJANNPT-RHEINLAESA-N
Compound name
(2R,3R,6R,8Z,12Z)-3-hydroxy-6,9,13-trimethyl-3-propan-2-yltricyclo[6.6.0.02,6]tetradeca-8,12-dien-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22458 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 194.7
[M+Na]+ 325.21380 199.8
[M-H]- 301.21730 196.6
[M+NH4]+ 320.25840 205.4
[M+K]+ 341.18774 198.0
[M+H-H2O]+ 285.22184 191.4
[M+HCOO]- 347.22278 200.4
[M+CH3COO]- 361.23843 232.4
[M+Na-2H]- 323.19925 188.8
[M]+ 302.22403 193.5
[M]- 302.22513 193.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.