CID 21721259

2-{[bis(methylamino)methylidene]amino}acetic acid

Structural Information

Molecular Formula
C5H11N3O2
SMILES
CNC(=NC)NCC(=O)O
InChI
InChI=1S/C5H11N3O2/c1-6-5(7-2)8-3-4(9)10/h3H2,1-2H3,(H,9,10)(H2,6,7,8)
InChIKey
YXWDZUGIIGEORF-UHFFFAOYSA-N
Compound name
2-[(N,N'-dimethylcarbamimidoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

145.08513 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.092406 130.8
[M+Na]+ 168.074348 136.1
[M-H]- 144.077854 131.3
[M+NH4]+ 163.118953 151.2
[M+K]+ 184.048288 136.7
[M+H-H2O]+ 128.082390 124.9
[M+HCOO]- 190.083331 156.8
[M+CH3COO]- 204.098981 180.8
[M+Na-2H]- 166.059796 136.3
[M]+ 145.08458142 129.1
[M]- 145.08567858 129.1
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

patents stripe