CID 96216

2-cyclopentene-1-acetic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC(C=C1)CC(=O)O
InChI
InChI=1S/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,8,9)
InChIKey
NNRZTJAACCRFRV-UHFFFAOYSA-N
Compound name
2-cyclopent-2-en-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

525
Patents

126.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 125.8
[M+Na]+ 149.05730 132.4
[M-H]- 125.06080 127.8
[M+NH4]+ 144.10190 148.7
[M+K]+ 165.03124 131.4
[M+H-H2O]+ 109.06534 121.0
[M+HCOO]- 171.06628 148.3
[M+CH3COO]- 185.08193 167.0
[M+Na-2H]- 147.04275 130.0
[M]+ 126.06753 123.8
[M]- 126.06863 123.8
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