CID 6365762

Einecs 278-579-6

Structural Information

Molecular Formula
C15H26O
SMILES
CCC/C(=C\CC1CC=C(C1(C)C)C)/CO
InChI
InChI=1S/C15H26O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h7-8,14,16H,5-6,9-11H2,1-4H3/b13-8+
InChIKey
MDLCAUNJOHZXEZ-MDWZMJQESA-N
Compound name
(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

222.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 156.1
[M+Na]+ 245.187578 162.3
[M-H]- 221.191084 157.9
[M+NH4]+ 240.232183 178.1
[M+K]+ 261.161518 158.9
[M+H-H2O]+ 205.195620 151.8
[M+HCOO]- 267.196561 175.8
[M+CH3COO]- 281.212211 190.4
[M+Na-2H]- 243.173026 156.1
[M]+ 222.19781142 156.6
[M]- 222.19890858 156.6
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.