CID 165905925

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

Structural Information

Molecular Formula
C7H14N2O3
SMILES
CC(C)CN(CCC(=O)O)N=O
InChI
InChI=1S/C7H14N2O3/c1-6(2)5-9(8-12)4-3-7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey
WIFIZMCMLKTGBF-UHFFFAOYSA-N
Compound name
3-[2-methylpropyl(nitroso)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.10045 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.10773 138.5
[M+Na]+ 197.08967 145.4
[M+NH4]+ 192.13427 144.4
[M+K]+ 213.06361 142.6
[M-H]- 173.09317 137.3
[M+Na-2H]- 195.07512 140.6
[M]+ 174.09990 138.6
[M]- 174.10100 138.6
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.