CID 440342

Chebi:58031

Structural Information

Molecular Formula
C10H16N4O4
SMILES
C1=C(NC(=N1)CCC(C(=O)O)N)C[C@@H](C(=O)O)N
InChI
InChI=1S/C10H16N4O4/c11-6(9(15)16)1-2-8-13-4-5(14-8)3-7(12)10(17)18/h4,6-7H,1-3,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6?,7-/m0/s1
InChIKey
CJCSNWWKPUXVRD-MLWJPKLSSA-N
Compound name
2-amino-4-[5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

17
Patents

256.11716 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12444 157.8
[M+Na]+ 279.10638 161.5
[M-H]- 255.10988 153.9
[M+NH4]+ 274.15098 170.0
[M+K]+ 295.08032 159.5
[M+H-H2O]+ 239.11442 150.1
[M+HCOO]- 301.11536 173.7
[M+CH3COO]- 315.13101 193.4
[M+Na-2H]- 277.09183 155.2
[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.