CID 97239

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

Structural Information

Molecular Formula
C9H10N2O4
SMILES
CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C9H10N2O4/c1-6(12)10-8-5-7(11(13)14)3-4-9(8)15-2/h3-5H,1-2H3,(H,10,12)
InChIKey
LNEITKYWXMCTLP-UHFFFAOYSA-N
Compound name
N-(2-methoxy-5-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

56
Patents

210.06406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 141.3
[M+Na]+ 233.05328 148.3
[M-H]- 209.05678 145.5
[M+NH4]+ 228.09788 159.1
[M+K]+ 249.02722 143.5
[M+H-H2O]+ 193.06132 139.6
[M+HCOO]- 255.06226 167.6
[M+CH3COO]- 269.07791 182.8
[M+Na-2H]- 231.03873 148.2
[M]+ 210.06351 141.4
[M]- 210.06461 141.4
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