CID 46173324

5-guanidino-3-methyl-2-oxopentanoate

Structural Information

Molecular Formula
C7H13N3O3
SMILES
CC(CCN=C(N)N)C(=O)C(=O)O
InChI
InChI=1S/C7H13N3O3/c1-4(5(11)6(12)13)2-3-10-7(8)9/h4H,2-3H2,1H3,(H,12,13)(H4,8,9,10)
InChIKey
HLXRGRMMMNFZHD-UHFFFAOYSA-N
Compound name
5-(diaminomethylideneamino)-3-methyl-2-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

187.09569 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.102966 142.4
[M+Na]+ 210.084908 146.5
[M-H]- 186.088414 141.5
[M+NH4]+ 205.129513 160.0
[M+K]+ 226.058848 146.9
[M+H-H2O]+ 170.092950 136.0
[M+HCOO]- 232.093891 164.9
[M+CH3COO]- 246.109541 190.4
[M+Na-2H]- 208.070356 142.2
[M]+ 187.09514142 138.9
[M]- 187.09623858 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.