CID 155905692

Chebi:197310

Structural Information

Molecular Formula
C8H15N3O3
SMILES
CNC(=NC)NCCCC(=O)C(=O)O
InChI
InChI=1S/C8H15N3O3/c1-9-8(10-2)11-5-3-4-6(12)7(13)14/h3-5H2,1-2H3,(H,13,14)(H2,9,10,11)
InChIKey
UGCSDGKDYVLCLE-UHFFFAOYSA-N
Compound name
5-[(N,N'-dimethylcarbamimidoyl)amino]-2-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11134 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.118616 146.2
[M+Na]+ 224.100558 150.2
[M-H]- 200.104064 146.2
[M+NH4]+ 219.145163 164.1
[M+K]+ 240.074498 150.5
[M+H-H2O]+ 184.108600 139.7
[M+HCOO]- 246.109541 170.7
[M+CH3COO]- 260.125191 192.1
[M+Na-2H]- 222.086006 149.0
[M]+ 201.11079142 145.7
[M]- 201.11188858 145.7
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.