CID 6437460

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

Structural Information

Molecular Formula
C14H24O
SMILES
CC1=CCC(C1(C)C)C/C=C(\C)/C(C)O
InChI
InChI=1S/C14H24O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-7,12-13,15H,8-9H2,1-5H3/b10-6+
InChIKey
SYSAACBNNCUINP-UXBLZVDNSA-N
Compound name
(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

44
Patents

208.18271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.189986 151.5
[M+Na]+ 231.171928 157.9
[M-H]- 207.175434 153.7
[M+NH4]+ 226.216533 174.1
[M+K]+ 247.145868 155.3
[M+H-H2O]+ 191.179970 147.6
[M+HCOO]- 253.180911 170.6
[M+CH3COO]- 267.196561 188.3
[M+Na-2H]- 229.157376 150.9
[M]+ 208.18216142 151.0
[M]- 208.18325858 151.0
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

patents stripe