CID 15984303

107898-54-4

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

1255
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.