CID 12512566

Cyclohept-1-ene-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CCC=C(CC1)C(=O)O
InChI
InChI=1S/C8H12O2/c9-8(10)7-5-3-1-2-4-6-7/h5H,1-4,6H2,(H,9,10)
InChIKey
FNFJZXAWCAEGNI-UHFFFAOYSA-N
Compound name
cycloheptene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

579
Patents

140.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 123.5
[M+Na]+ 163.07294 126.8
[M-H]- 139.07644 126.4
[M+NH4]+ 158.11754 142.6
[M+K]+ 179.04688 130.3
[M+H-H2O]+ 123.08098 119.3
[M+HCOO]- 185.08192 143.0
[M+CH3COO]- 199.09757 172.8
[M+Na-2H]- 161.05839 128.5
[M]+ 140.08317 116.9
[M]- 140.08427 116.9
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

No patent data available for this compound.