CID 1271

Ccpg

Structural Information

Molecular Formula
C6H9NO4
SMILES
C1C(C1C(=O)O)C(C(=O)O)N
InChI
InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)
InChIKey
GZOVEPYOCJWRFC-UHFFFAOYSA-N
Compound name
2-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

125
References

704
Patents

159.05316 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.060436 128.2
[M+Na]+ 182.042378 136.4
[M-H]- 158.045884 130.1
[M+NH4]+ 177.086983 142.2
[M+K]+ 198.016318 133.8
[M+H-H2O]+ 142.050420 123.1
[M+HCOO]- 204.051361 148.1
[M+CH3COO]- 218.067011 178.6
[M+Na-2H]- 180.027826 130.0
[M]+ 159.05261142 128.3
[M]- 159.05370858 128.3
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