CID 119897

28219-60-5

Structural Information

Molecular Formula
C13H22O
SMILES
CC1=CCC(C1(C)C)CC=C(C)CO
InChI
InChI=1S/C13H22O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h5-6,12,14H,7-9H2,1-4H3
InChIKey
MTVBNJVZZAQKRV-UHFFFAOYSA-N
Compound name
2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3944
Patents

194.16707 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 148.1
[M+Na]+ 217.15629 157.9
[M+NH4]+ 212.20089 157.5
[M+K]+ 233.13023 151.6
[M-H]- 193.15979 148.9
[M+Na-2H]- 215.14174 152.6
[M]+ 194.16652 149.7
[M]- 194.16762 149.7
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