CID 75936

N-(2-methyl-4-nitrophenyl)acetamide

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C9H10N2O3/c1-6-5-8(11(13)14)3-4-9(6)10-7(2)12/h3-5H,1-2H3,(H,10,12)
InChIKey
JZEOVPGWIWSSAK-UHFFFAOYSA-N
Compound name
N-(2-methyl-4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

194.06914 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 138.3
[M+Na]+ 217.058358 145.5
[M-H]- 193.061864 142.5
[M+NH4]+ 212.102963 156.9
[M+K]+ 233.032298 140.2
[M+H-H2O]+ 177.066400 137.0
[M+HCOO]- 239.067341 164.5
[M+CH3COO]- 253.082991 180.7
[M+Na-2H]- 215.043806 145.1
[M]+ 194.06859142 137.1
[M]- 194.06968858 137.1
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