CID 62274697

Lithium(1+) 2-{[(3-aminopropyl)carbamoyl]amino}acetate

Structural Information

Molecular Formula
C6H13N3O3
SMILES
C(CN)CNC(=O)NCC(=O)O
InChI
InChI=1S/C6H13N3O3/c7-2-1-3-8-6(12)9-4-5(10)11/h1-4,7H2,(H,10,11)(H2,8,9,12)
InChIKey
YWCOMPZISUKJEX-UHFFFAOYSA-N
Compound name
2-(3-aminopropylcarbamoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.09569 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10297 137.7
[M+Na]+ 198.08491 142.0
[M-H]- 174.08841 136.0
[M+NH4]+ 193.12951 155.7
[M+K]+ 214.05885 141.6
[M+H-H2O]+ 158.09295 131.5
[M+HCOO]- 220.09389 161.4
[M+CH3COO]- 234.10954 183.8
[M+Na-2H]- 196.07036 141.2
[M]+ 175.09514 134.9
[M]- 175.09624 134.9
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.