CID 11161

556-33-2

Structural Information

Molecular Formula
C6H11N3O4
SMILES
C(C(=O)NCC(=O)NCC(=O)O)N
InChI
InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)
InChIKey
XKUKSGPZAADMRA-UHFFFAOYSA-N
Compound name
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

168
References

103595
Patents

189.07495 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08223 139.5
[M+Na]+ 212.06417 143.7
[M-H]- 188.06767 137.8
[M+NH4]+ 207.10877 156.6
[M+K]+ 228.03811 143.8
[M+H-H2O]+ 172.07221 133.1
[M+HCOO]- 234.07315 162.6
[M+CH3COO]- 248.08880 186.1
[M+Na-2H]- 210.04962 141.8
[M]+ 189.07440 136.7
[M]- 189.07550 136.7
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

patents stripe