CID 165905220

2-methyl-3-[methyl(nitroso)amino]propanoic acid

Structural Information

Molecular Formula
C5H10N2O3
SMILES
CC(CN(C)N=O)C(=O)O
InChI
InChI=1S/C5H10N2O3/c1-4(5(8)9)3-7(2)6-10/h4H,3H2,1-2H3,(H,8,9)
InChIKey
RUJKVOHTKUJZBV-UHFFFAOYSA-N
Compound name
2-methyl-3-[methyl(nitroso)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.06914 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.076416 128.7
[M+Na]+ 169.058358 134.8
[M-H]- 145.061864 130.7
[M+NH4]+ 164.102963 149.8
[M+K]+ 185.032298 137.3
[M+H-H2O]+ 129.066400 123.1
[M+HCOO]- 191.067341 154.5
[M+CH3COO]- 205.082991 183.3
[M+Na-2H]- 167.043806 133.5
[M]+ 146.06859142 130.8
[M]- 146.06968858 130.8
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.