CID 15984303

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=C/C(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/b10-9+
InChIKey
QZFSNJAQFWEXEA-MDZDMXLPSA-N
Compound name
(E)-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

1316
Patents

222.19836 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.7
[M+Na]+ 245.18758 161.5
[M-H]- 221.19108 157.0
[M+NH4]+ 240.23218 177.0
[M+K]+ 261.16152 158.6
[M+H-H2O]+ 205.19562 151.4
[M+HCOO]- 267.19656 173.0
[M+CH3COO]- 281.21221 190.8
[M+Na-2H]- 243.17303 155.8
[M]+ 222.19781 154.9
[M]- 222.19891 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

literature stripe

Patent stripe

patents stripe