CID 42608254

Isotrinerviol

Structural Information

Molecular Formula
C20H32O
SMILES
C[C@H]1CC/C=C(\[C@@H]2CC[C@]3([C@@H]2C(=C(CC1)[C@H](C3)O)C)C)/C
InChI
InChI=1S/C20H32O/c1-13-6-5-7-14(2)16-10-11-20(4)12-18(21)17(9-8-13)15(3)19(16)20/h7,13,16,18-19,21H,5-6,8-12H2,1-4H3/b14-7-/t13-,16-,18-,19+,20+/m0/s1
InChIKey
PJNOSQMCFHDMLC-MOEFAXRESA-N
Compound name
(1R,2Z,6S,10S,12R,15R)-2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.24533 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 173.2
[M+Na]+ 311.23455 178.8
[M-H]- 287.23805 172.2
[M+NH4]+ 306.27915 193.0
[M+K]+ 327.20849 174.6
[M+H-H2O]+ 271.24259 171.6
[M+HCOO]- 333.24353 184.6
[M+CH3COO]- 347.25918 182.1
[M+Na-2H]- 309.22000 171.9
[M]+ 288.24478 167.6
[M]- 288.24588 167.6
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.