CID 3918214

4'-methoxy-2'-nitro-1-cyclopropanecarboxanilide

Structural Information

Molecular Formula
C11H12N2O4
SMILES
COC1=CC(=C(C=C1)NC(=O)C2CC2)[N+](=O)[O-]
InChI
InChI=1S/C11H12N2O4/c1-17-8-4-5-9(10(6-8)13(15)16)12-11(14)7-2-3-7/h4-7H,2-3H2,1H3,(H,12,14)
InChIKey
FIAORTYGWLBHBK-UHFFFAOYSA-N
Compound name
N-(4-methoxy-2-nitrophenyl)cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07971 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08699 142.8
[M+Na]+ 259.06893 150.7
[M-H]- 235.07243 150.5
[M+NH4]+ 254.11353 154.8
[M+K]+ 275.04287 143.9
[M+H-H2O]+ 219.07697 140.6
[M+HCOO]- 281.07791 168.8
[M+CH3COO]- 295.09356 190.5
[M+Na-2H]- 257.05438 149.7
[M]+ 236.07916 144.7
[M]- 236.08026 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.