CID 14530764

1-methylcyclopent-3-ene-1-carboxylic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
CC1(CC=CC1)C(=O)O
InChI
InChI=1S/C7H10O2/c1-7(6(8)9)4-2-3-5-7/h2-3H,4-5H2,1H3,(H,8,9)
InChIKey
SGNHBZBGAUUXFH-UHFFFAOYSA-N
Compound name
1-methylcyclopent-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

126.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 125.1
[M+Na]+ 149.057298 132.7
[M-H]- 125.060804 127.6
[M+NH4]+ 144.101903 150.1
[M+K]+ 165.031238 131.8
[M+H-H2O]+ 109.065340 121.3
[M+HCOO]- 171.066281 147.7
[M+CH3COO]- 185.081931 166.6
[M+Na-2H]- 147.042746 130.5
[M]+ 126.06753142 123.4
[M]- 126.06862858 123.4
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