CID 170434

N-ethyl-n-nitrosoglycine

Structural Information

Molecular Formula
C4H8N2O3
SMILES
CCN(CC(=O)O)N=O
InChI
InChI=1S/C4H8N2O3/c1-2-6(5-9)3-4(7)8/h2-3H2,1H3,(H,7,8)
InChIKey
FGIAIVMJOQGFOI-UHFFFAOYSA-N
Compound name
2-[ethyl(nitroso)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

132.0535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.060776 123.5
[M+Na]+ 155.042718 130.3
[M-H]- 131.046224 125.6
[M+NH4]+ 150.087323 145.3
[M+K]+ 171.016658 132.5
[M+H-H2O]+ 115.050760 118.0
[M+HCOO]- 177.051701 150.6
[M+CH3COO]- 191.067351 179.4
[M+Na-2H]- 153.028166 130.1
[M]+ 132.05295142 125.9
[M]- 132.05404858 125.9
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

patents stripe