CID 49979

N-carbamoyl-n-nitrosoalanine ethyl ester

Structural Information

Molecular Formula
C6H11N3O4
SMILES
CCOC(=O)C(C)N(C(=O)N)N=O
InChI
InChI=1S/C6H11N3O4/c1-3-13-5(10)4(2)9(8-12)6(7)11/h4H,3H2,1-2H3,(H2,7,11)
InChIKey
LYGNEQBGVIJKEE-UHFFFAOYSA-N
Compound name
ethyl 2-[carbamoyl(nitroso)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07495 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08223 138.8
[M+Na]+ 212.06417 144.2
[M-H]- 188.06767 141.6
[M+NH4]+ 207.10877 158.2
[M+K]+ 228.03811 147.4
[M+H-H2O]+ 172.07221 132.2
[M+HCOO]- 234.07315 165.6
[M+CH3COO]- 248.08880 194.2
[M+Na-2H]- 210.04962 141.6
[M]+ 189.07440 141.3
[M]- 189.07550 141.3
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.