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]+ 146.09241 131.5
[M+Na]+ 168.07435 137.8
[M+NH4]+ 163.11895 137.4
[M+K]+ 184.04829 134.7
[M-H]- 144.07785 130.7
[M+Na-2H]- 166.05980 133.8
[M]+ 145.08458 131.4
[M]- 145.08568 131.4
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