CID 241595

2-(1-cyclohexen-1-yl)hexanoic acid

Structural Information

Molecular Formula
C12H20O2
SMILES
CCCCC(C1=CCCCC1)C(=O)O
InChI
InChI=1S/C12H20O2/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10/h7,11H,2-6,8-9H2,1H3,(H,13,14)
InChIKey
ZTXTUIUYIXIUQV-UHFFFAOYSA-N
Compound name
2-(cyclohexen-1-yl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

196.14633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 147.8
[M+Na]+ 219.13555 151.2
[M-H]- 195.13905 148.8
[M+NH4]+ 214.18015 166.1
[M+K]+ 235.10949 149.4
[M+H-H2O]+ 179.14359 141.9
[M+HCOO]- 241.14453 165.6
[M+CH3COO]- 255.16018 183.3
[M+Na-2H]- 217.12100 149.4
[M]+ 196.14578 144.9
[M]- 196.14688 144.9
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