CID 134716631

(2s)-2-amino-4-{[(1r)-1-carboxy-2-(1h-imidazol-4-yl)ethyl]amino}butanoate

Structural Information

Molecular Formula
C10H16N4O4
SMILES
C1=C(NC=N1)C[C@H](C(=O)O)NCC[C@@H](C(=O)O)N
InChI
InChI=1S/C10H16N4O4/c11-7(9(15)16)1-2-13-8(10(17)18)3-6-4-12-5-14-6/h4-5,7-8,13H,1-3,11H2,(H,12,14)(H,15,16)(H,17,18)/t7-,8+/m0/s1
InChIKey
PQUPEWJRDBYFHU-JGVFFNPUSA-N
Compound name
(2S)-2-amino-4-[[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

256.11716 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12444 157.2
[M+Na]+ 279.10638 159.9
[M-H]- 255.10988 153.4
[M+NH4]+ 274.15098 169.3
[M+K]+ 295.08032 158.2
[M+H-H2O]+ 239.11442 149.1
[M+HCOO]- 301.11536 173.8
[M+CH3COO]- 315.13101 192.5
[M+Na-2H]- 277.09183 156.4
[M]+ 256.11661 152.7
[M]- 256.11771 152.7
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.