CID 18614353

3-methylenecyclopentanecarboxylic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C=C1CCC(C1)C(=O)O
InChI
InChI=1S/C7H10O2/c1-5-2-3-6(4-5)7(8)9/h6H,1-4H2,(H,8,9)
InChIKey
KXWCTOFUEWEPHD-UHFFFAOYSA-N
Compound name
3-methylidenecyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

126.06808 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 125.6
[M+Na]+ 149.057298 132.5
[M-H]- 125.060804 127.8
[M+NH4]+ 144.101903 148.8
[M+K]+ 165.031238 131.1
[M+H-H2O]+ 109.065340 121.3
[M+HCOO]- 171.066281 146.9
[M+CH3COO]- 185.081931 167.6
[M+Na-2H]- 147.042746 128.2
[M]+ 126.06753142 121.9
[M]- 126.06862858 121.9
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

patents stripe