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

478
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 126.1
[M+Na]+ 149.05730 135.7
[M+NH4]+ 144.10190 134.4
[M+K]+ 165.03124 132.6
[M-H]- 125.06080 126.5
[M+Na-2H]- 147.04275 130.5
[M]+ 126.06753 127.3
[M]- 126.06863 127.3
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

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