CID 3051743

Valine, n-carbamoyl-n-nitroso-, ethyl ester

Structural Information

Molecular Formula
C8H15N3O4
SMILES
CCOC(=O)[C@H](C(C)C)N(C(=O)N)N=O
InChI
InChI=1S/C8H15N3O4/c1-4-15-7(12)6(5(2)3)11(10-14)8(9)13/h5-6H,4H2,1-3H3,(H2,9,13)/t6-/m0/s1
InChIKey
LYQAMSUJGUNUHT-LURJTMIESA-N
Compound name
ethyl (2S)-2-[carbamoyl(nitroso)amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.10626 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11354 148.6
[M+Na]+ 240.09548 152.9
[M-H]- 216.09898 151.0
[M+NH4]+ 235.14008 166.7
[M+K]+ 256.06942 156.2
[M+H-H2O]+ 200.10352 141.7
[M+HCOO]- 262.10446 173.7
[M+CH3COO]- 276.12011 201.2
[M+Na-2H]- 238.08093 149.0
[M]+ 217.10571 151.2
[M]- 217.10681 151.2
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.