CID 49979

Alanine, n-carbamoyl-n-nitroso-, 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]+ 190.082226 138.8
[M+Na]+ 212.064168 144.2
[M-H]- 188.067674 141.6
[M+NH4]+ 207.108773 158.2
[M+K]+ 228.038108 147.4
[M+H-H2O]+ 172.072210 132.2
[M+HCOO]- 234.073151 165.6
[M+CH3COO]- 248.088801 194.2
[M+Na-2H]- 210.049616 141.6
[M]+ 189.07440142 141.3
[M]- 189.07549858 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.