CID 99282

Gn zwitterion

Structural Information

Molecular Formula
C6H11N3O4
SMILES
C([C@@H](C(=O)O)NC(=O)CN)C(=O)N
InChI
InChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)/t3-/m0/s1
InChIKey
FUESBOMYALLFNI-VKHMYHEASA-N
Compound name
(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

77255
Patents

189.07495 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08223 140.3
[M+Na]+ 212.06417 144.2
[M-H]- 188.06767 138.1
[M+NH4]+ 207.10877 157.0
[M+K]+ 228.03811 144.6
[M+H-H2O]+ 172.07221 134.0
[M+HCOO]- 234.07315 161.8
[M+CH3COO]- 248.08880 187.3
[M+Na-2H]- 210.04962 140.2
[M]+ 189.07440 135.9
[M]- 189.07550 135.9
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

patents stripe