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]+ 223.20564 156.2
[M+Na]+ 245.18758 161.7
[M-H]- 221.19108 158.5
[M+NH4]+ 240.23218 179.2
[M+K]+ 261.16152 158.0
[M+H-H2O]+ 205.19562 152.1
[M+HCOO]- 267.19656 171.3
[M+CH3COO]- 281.21221 190.0
[M+Na-2H]- 243.17303 155.4
[M]+ 222.19781 151.4
[M]- 222.19891 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.