CID 168499380

Dmvg

Structural Information

Molecular Formula
C8H16N3O3
SMILES
C[N+](=C(N)NCCCC(=O)C(=O)O)C
InChI
InChI=1S/C8H15N3O3/c1-11(2)8(9)10-5-3-4-6(12)7(13)14/h3-5H2,1-2H3,(H3,9,10,13,14)/p+1
InChIKey
JHQCHMCIQFVESL-UHFFFAOYSA-O
Compound name
[amino-[(4-carboxy-4-oxobutyl)amino]methylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11917 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12645 144.5
[M+Na]+ 225.10839 148.3
[M-H]- 201.11189 144.4
[M+NH4]+ 220.15299 161.7
[M+K]+ 241.08233 143.3
[M+H-H2O]+ 185.11643 141.0
[M+HCOO]- 247.11737 167.1
[M+CH3COO]- 261.13302 185.3
[M+Na-2H]- 223.09384 147.5
[M]+ 202.11862 141.0
[M]- 202.11972 141.0
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.