CID 53425103

3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1=CCC(C1(C)C)C=CC(C)(C)C(C)O
InChI
InChI=1S/C15H26O/c1-11-7-8-13(15(11,5)6)9-10-14(3,4)12(2)16/h7,9-10,12-13,16H,8H2,1-6H3
InChIKey
QZFSNJAQFWEXEA-UHFFFAOYSA-N
Compound name
3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1303
Patents

222.19836 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 154.7
[M+Na]+ 245.187578 161.5
[M-H]- 221.191084 157.0
[M+NH4]+ 240.232183 177.0
[M+K]+ 261.161518 158.6
[M+H-H2O]+ 205.195620 151.4
[M+HCOO]- 267.196561 173.0
[M+CH3COO]- 281.212211 190.8
[M+Na-2H]- 243.173026 155.8
[M]+ 222.19781142 154.9
[M]- 222.19890858 154.9
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.