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]+ 257.124436 157.2
[M+Na]+ 279.106378 159.9
[M-H]- 255.109884 153.4
[M+NH4]+ 274.150983 169.3
[M+K]+ 295.080318 158.2
[M+H-H2O]+ 239.114420 149.1
[M+HCOO]- 301.115361 173.8
[M+CH3COO]- 315.131011 192.5
[M+Na-2H]- 277.091826 156.4
[M]+ 256.11661142 152.7
[M]- 256.11770858 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

literature stripe

Patent stripe

No patent data available for this compound.