CID 366202

Nsc634529

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CC(C(=O)O)N(C1=CC=CC=C1)N=O
InChI
InChI=1S/C9H10N2O3/c1-7(9(12)13)11(10-14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)
InChIKey
JIDLPWNSUAHCRX-UHFFFAOYSA-N
Compound name
2-(N-nitrosoanilino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

194.06914 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 139.4
[M+Na]+ 217.058358 145.0
[M-H]- 193.061864 144.4
[M+NH4]+ 212.102963 158.3
[M+K]+ 233.032298 145.9
[M+H-H2O]+ 177.066400 132.4
[M+HCOO]- 239.067341 165.6
[M+CH3COO]- 253.082991 190.7
[M+Na-2H]- 215.043806 145.0
[M]+ 194.06859142 140.6
[M]- 194.06968858 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe