CID 3113367

N-(2-methoxyethyl)-4-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC1=C(C=C(C=C1)C(=O)NCCOC)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O4/c1-8-3-4-9(7-10(8)13(15)16)11(14)12-5-6-17-2/h3-4,7H,5-6H2,1-2H3,(H,12,14)
InChIKey
LBMNLEWWGFJZBN-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-4-methyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09535 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 151.0
[M+Na]+ 261.08457 157.2
[M-H]- 237.08807 154.8
[M+NH4]+ 256.12917 167.7
[M+K]+ 277.05851 151.9
[M+H-H2O]+ 221.09261 148.9
[M+HCOO]- 283.09355 176.7
[M+CH3COO]- 297.10920 188.9
[M+Na-2H]- 259.07002 156.9
[M]+ 238.09480 151.8
[M]- 238.09590 151.8
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.