CID 49976

67792-85-2

Structural Information

Molecular Formula
C5H9N3O4
SMILES
CCOC(=O)CN(C(=O)N)N=O
InChI
InChI=1S/C5H9N3O4/c1-2-12-4(9)3-8(7-11)5(6)10/h2-3H2,1H3,(H2,6,10)
InChIKey
RFAPTJJTVLWLJY-UHFFFAOYSA-N
Compound name
ethyl 2-[carbamoyl(nitroso)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.05931 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.066586 133.6
[M+Na]+ 198.048528 139.5
[M-H]- 174.052034 136.4
[M+NH4]+ 193.093133 153.5
[M+K]+ 214.022468 142.5
[M+H-H2O]+ 158.056570 127.0
[M+HCOO]- 220.057511 161.6
[M+CH3COO]- 234.073161 190.3
[M+Na-2H]- 196.033976 138.1
[M]+ 175.05876142 136.3
[M]- 175.05985858 136.3
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.