CID 88877

N-(2-nitrosophenyl)acetamide

Structural Information

Molecular Formula
C8H8N2O2
SMILES
CC(=O)NC1=CC=CC=C1N=O
InChI
InChI=1S/C8H8N2O2/c1-6(11)9-7-4-2-3-5-8(7)10-12/h2-5H,1H3,(H,9,11)
InChIKey
AEMQSBVTDQQBGB-UHFFFAOYSA-N
Compound name
N-(2-nitrosophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

164.05858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 130.9
[M+Na]+ 187.04780 138.6
[M-H]- 163.05130 136.4
[M+NH4]+ 182.09240 151.6
[M+K]+ 203.02174 138.1
[M+H-H2O]+ 147.05584 124.4
[M+HCOO]- 209.05678 159.2
[M+CH3COO]- 223.07243 184.3
[M+Na-2H]- 185.03325 138.8
[M]+ 164.05803 131.9
[M]- 164.05913 131.9
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