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

31
Patents

158.0579 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 131.9
[M+Na]+ 181.047118 140.6
[M-H]- 157.050624 134.2
[M+NH4]+ 176.091723 148.3
[M+K]+ 197.021058 139.0
[M+H-H2O]+ 141.055160 128.1
[M+HCOO]- 203.056101 151.7
[M+CH3COO]- 217.071751 174.6
[M+Na-2H]- 179.032566 136.9
[M]+ 158.05735142 134.8
[M]- 158.05844858 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