CID 42608228

7,8-epoxybasm-4-en-6-one

Structural Information

Molecular Formula
C20H30O2
SMILES
C/C/1=C/C(=O)[C@@]23C(CC[C@@]2(O3)C)[C@@]4(CC[C@H]([C@@H]4C1)C(C)C)C
InChI
InChI=1S/C20H30O2/c1-12(2)14-6-8-18(4)15(14)10-13(3)11-17(21)20-16(18)7-9-19(20,5)22-20/h11-12,14-16H,6-10H2,1-5H3/b13-11-/t14-,15-,16?,18+,19-,20-/m0/s1
InChIKey
XSTDCUOYLNXBIN-PSBVTDFSSA-N
Compound name
(1R,3Z,6S,7S,10R,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxatetracyclo[9.4.0.01,14.06,10]pentadec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22458 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 187.7
[M+Na]+ 325.21380 193.3
[M-H]- 301.21730 191.0
[M+NH4]+ 320.25840 196.7
[M+K]+ 341.18774 192.6
[M+H-H2O]+ 285.22184 184.8
[M+HCOO]- 347.22278 192.4
[M+CH3COO]- 361.23843 190.8
[M+Na-2H]- 323.19925 183.6
[M]+ 302.22403 188.7
[M]- 302.22513 188.7
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.