CID 710774

N-(tert-butyl)-2-nitrobenzamide

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC(C)(C)NC(=O)C1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O3/c1-11(2,3)12-10(14)8-6-4-5-7-9(8)13(15)16/h4-7H,1-3H3,(H,12,14)
InChIKey
BMADOZDALQJUFQ-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

222.10045 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 147.1
[M+Na]+ 245.08967 158.3
[M+NH4]+ 240.13427 154.1
[M+K]+ 261.06361 156.4
[M-H]- 221.09317 149.5
[M+Na-2H]- 243.07512 152.6
[M]+ 222.09990 149.1
[M]- 222.10100 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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