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]+ 237.086986 142.8
[M+Na]+ 259.068928 150.7
[M-H]- 235.072434 150.5
[M+NH4]+ 254.113533 154.8
[M+K]+ 275.042868 143.9
[M+H-H2O]+ 219.076970 140.6
[M+HCOO]- 281.077911 168.8
[M+CH3COO]- 295.093561 190.5
[M+Na-2H]- 257.054376 149.7
[M]+ 236.07916142 144.7
[M]- 236.08025858 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.