CID 191303

1,2-cyclopropanediacetic acid

Structural Information

Molecular Formula
C7H10O4
SMILES
C1C(C1CC(=O)O)CC(=O)O
InChI
InChI=1S/C7H10O4/c8-6(9)2-4-1-5(4)3-7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)
InChIKey
JSRDBEGXQDOKHA-UHFFFAOYSA-N
Compound name
2-[2-(carboxymethyl)cyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

158.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 130.2
[M+Na]+ 181.047118 139.1
[M-H]- 157.050624 132.5
[M+NH4]+ 176.091723 145.0
[M+K]+ 197.021058 136.4
[M+H-H2O]+ 141.055160 125.2
[M+HCOO]- 203.056101 150.4
[M+CH3COO]- 217.071751 176.2
[M+Na-2H]- 179.032566 133.5
[M]+ 158.05735142 133.0
[M]- 158.05844858 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe