CID 168499391

Chebi:197314

Structural Information

Molecular Formula
C7H13N3O3
SMILES
CN=C(N)NCCCC(=O)C(=O)O
InChI
InChI=1S/C7H13N3O3/c1-9-7(8)10-4-2-3-5(11)6(12)13/h2-4H2,1H3,(H,12,13)(H3,8,9,10)
InChIKey
QTXALLPDCOJHGD-UHFFFAOYSA-N
Compound name
5-[(N'-methylcarbamimidoyl)amino]-2-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09569 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.102966 141.6
[M+Na]+ 210.084908 146.0
[M-H]- 186.088414 141.3
[M+NH4]+ 205.129513 159.7
[M+K]+ 226.058848 146.2
[M+H-H2O]+ 170.092950 135.2
[M+HCOO]- 232.093891 165.8
[M+CH3COO]- 246.109541 189.2
[M+Na-2H]- 208.070356 143.8
[M]+ 187.09514142 139.8
[M]- 187.09623858 139.8
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.