CID 245600

2665-73-8

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CCC(C)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O3/c1-3-8(2)12-11(14)9-4-6-10(7-5-9)13(15)16/h4-8H,3H2,1-2H3,(H,12,14)
InChIKey
NQWMXRNYYFMIIL-UHFFFAOYSA-N
Compound name
N-butan-2-yl-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

222.10045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 148.3
[M+Na]+ 245.08967 153.5
[M-H]- 221.09317 151.9
[M+NH4]+ 240.13427 165.4
[M+K]+ 261.06361 148.2
[M+H-H2O]+ 205.09771 146.4
[M+HCOO]- 267.09865 172.9
[M+CH3COO]- 281.11430 186.4
[M+Na-2H]- 243.07512 153.5
[M]+ 222.09990 146.8
[M]- 222.10100 146.8
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.