CID 131751184

1-(gamma-glutamylamino)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C9H14N2O5
SMILES
C1CC1(C(=O)O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C9H14N2O5/c10-5(7(13)14)1-2-6(12)11-9(3-4-9)8(15)16/h5H,1-4,10H2,(H,11,12)(H,13,14)(H,15,16)
InChIKey
FQRKFJSYMKRNGO-UHFFFAOYSA-N
Compound name
1-[(4-amino-4-carboxybutanoyl)amino]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

230.09027 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09755 146.0
[M+Na]+ 253.07949 152.0
[M-H]- 229.08299 147.3
[M+NH4]+ 248.12409 158.4
[M+K]+ 269.05343 150.0
[M+H-H2O]+ 213.08753 141.7
[M+HCOO]- 275.08847 165.1
[M+CH3COO]- 289.10412 192.4
[M+Na-2H]- 251.06494 147.6
[M]+ 230.08972 146.8
[M]- 230.09082 146.8
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

No patent data available for this compound.