CID 12530991

70197-77-2

Structural Information

Molecular Formula
C7H10O4
SMILES
C1CC1(CC(=O)O)CC(=O)O
InChI
InChI=1S/C7H10O4/c8-5(9)3-7(1-2-7)4-6(10)11/h1-4H2,(H,8,9)(H,10,11)
InChIKey
ZTHPDQRRMAKLIQ-UHFFFAOYSA-N
Compound name
2-[1-(carboxymethyl)cyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

158.0579 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 135.8
[M+Na]+ 181.04712 145.5
[M+NH4]+ 176.09172 143.8
[M+K]+ 197.02106 142.3
[M-H]- 157.05062 141.0
[M+Na-2H]- 179.03257 142.0
[M]+ 158.05735 139.5
[M]- 158.05845 139.5
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