CID 133503

Macpca

Structural Information

Molecular Formula
C7H9NO5
SMILES
C1CC1(C(=O)O)NC(=O)CC(=O)O
InChI
InChI=1S/C7H9NO5/c9-4(3-5(10)11)8-7(1-2-7)6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
InChIKey
QXOQNNAWFUXKMH-UHFFFAOYSA-N
Compound name
1-[(2-carboxyacetyl)amino]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

964
Patents

187.04807 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05535 136.3
[M+Na]+ 210.03729 144.1
[M-H]- 186.04079 138.5
[M+NH4]+ 205.08189 151.0
[M+K]+ 226.01123 142.5
[M+H-H2O]+ 170.04533 132.4
[M+HCOO]- 232.04627 156.5
[M+CH3COO]- 246.06192 181.0
[M+Na-2H]- 208.02274 140.5
[M]+ 187.04752 138.6
[M]- 187.04862 138.6
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