CID 69162

612-45-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

194.06914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 138.3
[M+Na]+ 217.05836 145.5
[M-H]- 193.06186 142.5
[M+NH4]+ 212.10296 156.9
[M+K]+ 233.03230 140.2
[M+H-H2O]+ 177.06640 137.0
[M+HCOO]- 239.06734 164.5
[M+CH3COO]- 253.08299 180.7
[M+Na-2H]- 215.04381 145.1
[M]+ 194.06859 137.1
[M]- 194.06969 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