CID 92546

N-(2-methoxy-5-methyl-4-nitrophenyl)acetamide

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CC1=CC(=C(C=C1[N+](=O)[O-])OC)NC(=O)C
InChI
InChI=1S/C10H12N2O4/c1-6-4-8(11-7(2)13)10(16-3)5-9(6)12(14)15/h4-5H,1-3H3,(H,11,13)
InChIKey
ACLVOBFSJRPZQD-UHFFFAOYSA-N
Compound name
N-(2-methoxy-5-methyl-4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

224.07971 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.086986 145.5
[M+Na]+ 247.068928 153.1
[M-H]- 223.072434 149.9
[M+NH4]+ 242.113533 163.1
[M+K]+ 263.042868 148.1
[M+H-H2O]+ 207.076970 144.0
[M+HCOO]- 269.077911 171.5
[M+CH3COO]- 283.093561 187.0
[M+Na-2H]- 245.054376 151.4
[M]+ 224.07916142 146.4
[M]- 224.08025858 146.4
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