CID 549171

2-cyclopentene-1-carboxylic acid

Structural Information

Molecular Formula
C6H8O2
SMILES
C1CC(C=C1)C(=O)O
InChI
InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,7,8)
InChIKey
MOMBAXHNIPLMSI-UHFFFAOYSA-N
Compound name
cyclopent-2-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

420
Patents

112.05243 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 121.0
[M+Na]+ 135.04165 128.1
[M-H]- 111.04515 123.3
[M+NH4]+ 130.08625 144.6
[M+K]+ 151.01559 127.4
[M+H-H2O]+ 95.049690 116.4
[M+HCOO]- 157.05063 143.9
[M+CH3COO]- 171.06628 164.0
[M+Na-2H]- 133.02710 125.8
[M]+ 112.05188 118.7
[M]- 112.05298 118.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe