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]+ 202.11862 146.2
[M+Na]+ 224.10056 150.2
[M-H]- 200.10406 146.2
[M+NH4]+ 219.14516 164.1
[M+K]+ 240.07450 150.5
[M+H-H2O]+ 184.10860 139.7
[M+HCOO]- 246.10954 170.7
[M+CH3COO]- 260.12519 192.1
[M+Na-2H]- 222.08601 149.0
[M]+ 201.11079 145.7
[M]- 201.11189 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.