CID 92074

2-hexylcyclopent-2-en-1-ol

Structural Information

Molecular Formula
C11H20O
SMILES
CCCCCCC1=CCCC1O
InChI
InChI=1S/C11H20O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h8,11-12H,2-7,9H2,1H3
InChIKey
VESRTLCRBMYPCA-UHFFFAOYSA-N
Compound name
2-hexylcyclopent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

168.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 141.2
[M+Na]+ 191.140628 147.1
[M-H]- 167.144134 142.8
[M+NH4]+ 186.185233 163.0
[M+K]+ 207.114568 144.7
[M+H-H2O]+ 151.148670 136.0
[M+HCOO]- 213.149611 163.0
[M+CH3COO]- 227.165261 178.4
[M+Na-2H]- 189.126076 143.8
[M]+ 168.15086142 141.0
[M]- 168.15195858 141.0
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