CID 119897

2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol

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
3
Annotation Hits

0
References

4973
Patents

194.16707 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 146.8
[M+Na]+ 217.156288 154.0
[M-H]- 193.159794 149.1
[M+NH4]+ 212.200893 170.1
[M+K]+ 233.130228 151.1
[M+H-H2O]+ 177.164330 143.0
[M+HCOO]- 239.165271 167.3
[M+CH3COO]- 253.180921 184.4
[M+Na-2H]- 215.141736 148.0
[M]+ 194.16652142 146.7
[M]- 194.16761858 146.7
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