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

701
Patents

159.05316 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06044 128.2
[M+Na]+ 182.04238 136.4
[M-H]- 158.04588 130.1
[M+NH4]+ 177.08698 142.2
[M+K]+ 198.01632 133.8
[M+H-H2O]+ 142.05042 123.1
[M+HCOO]- 204.05136 148.1
[M+CH3COO]- 218.06701 178.6
[M+Na-2H]- 180.02783 130.0
[M]+ 159.05261 128.3
[M]- 159.05371 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.