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]+ 188.10297 141.6
[M+Na]+ 210.08491 146.0
[M-H]- 186.08841 141.3
[M+NH4]+ 205.12951 159.7
[M+K]+ 226.05885 146.2
[M+H-H2O]+ 170.09295 135.2
[M+HCOO]- 232.09389 165.8
[M+CH3COO]- 246.10954 189.2
[M+Na-2H]- 208.07036 143.8
[M]+ 187.09514 139.8
[M]- 187.09624 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.