CID 12530991

2-[1-(carboxymethyl)cyclopropyl]acetic acid

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 131.9
[M+Na]+ 181.04712 140.6
[M-H]- 157.05062 134.2
[M+NH4]+ 176.09172 148.3
[M+K]+ 197.02106 139.0
[M+H-H2O]+ 141.05516 128.1
[M+HCOO]- 203.05610 151.7
[M+CH3COO]- 217.07175 174.6
[M+Na-2H]- 179.03257 136.9
[M]+ 158.05735 134.8
[M]- 158.05845 134.8
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