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]+ 218.113536 148.6
[M+Na]+ 240.095478 152.9
[M-H]- 216.098984 151.0
[M+NH4]+ 235.140083 166.7
[M+K]+ 256.069418 156.2
[M+H-H2O]+ 200.103520 141.7
[M+HCOO]- 262.104461 173.7
[M+CH3COO]- 276.120111 201.2
[M+Na-2H]- 238.080926 149.0
[M]+ 217.10571142 151.2
[M]- 217.10680858 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.