CID 146682173

Trichobrasilenol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@H]1CC[C@H]\2[C@H]1CC(C/C2=C(/C)\CO)(C)C
InChI
InChI=1S/C15H26O/c1-10-5-6-12-13(10)7-15(3,4)8-14(12)11(2)9-16/h10,12-13,16H,5-9H2,1-4H3/b14-11+/t10-,12-,13-/m0/s1
InChIKey
DJBXKQSFHIRXRM-JRYBIPSHSA-N
Compound name
(2E)-2-[(1S,3aS,7aS)-1,6,6-trimethyl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ylidene]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 156.2
[M+Na]+ 245.187578 161.7
[M-H]- 221.191084 158.5
[M+NH4]+ 240.232183 179.2
[M+K]+ 261.161518 158.0
[M+H-H2O]+ 205.195620 152.1
[M+HCOO]- 267.196561 171.3
[M+CH3COO]- 281.212211 190.0
[M+Na-2H]- 243.173026 155.4
[M]+ 222.19781142 151.4
[M]- 222.19890858 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.