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
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 157.0
[M+Na]+ 245.18758 166.4
[M+NH4]+ 240.23218 166.0
[M+K]+ 261.16152 159.6
[M-H]- 221.19108 157.7
[M+Na-2H]- 243.17303 161.0
[M]+ 222.19781 158.5
[M]- 222.19891 158.5
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.