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]+ 203.126446 144.5
[M+Na]+ 225.108388 148.3
[M-H]- 201.111894 144.4
[M+NH4]+ 220.152993 161.7
[M+K]+ 241.082328 143.3
[M+H-H2O]+ 185.116430 141.0
[M+HCOO]- 247.117371 167.1
[M+CH3COO]- 261.133021 185.3
[M+Na-2H]- 223.093836 147.5
[M]+ 202.11862142 141.0
[M]- 202.11971858 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.