CID 136714

927-21-9

Structural Information

Molecular Formula
C7H13N3O4
SMILES
CC(C(=O)NCC(=O)NCC(=O)O)N
InChI
InChI=1S/C7H13N3O4/c1-4(8)7(14)10-2-5(11)9-3-6(12)13/h4H,2-3,8H2,1H3,(H,9,11)(H,10,14)(H,12,13)
InChIKey
VGPWRRFOPXVGOH-UHFFFAOYSA-N
Compound name
2-[[2-(2-aminopropanoylamino)acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

203.0906 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.09788 145.5
[M+Na]+ 226.07982 148.9
[M+NH4]+ 221.12442 148.8
[M+K]+ 242.05376 148.6
[M-H]- 202.08332 142.1
[M+Na-2H]- 224.06527 144.4
[M]+ 203.09005 143.9
[M]- 203.09115 143.9
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