CID 3728665

N-(4-methyl-2-nitrophenyl)cyclohexanecarboxamide

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CC1=CC(=C(C=C1)NC(=O)C2CCCCC2)[N+](=O)[O-]
InChI
InChI=1S/C14H18N2O3/c1-10-7-8-12(13(9-10)16(18)19)15-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,17)
InChIKey
PGNZXQDBGJIYKO-UHFFFAOYSA-N
Compound name
N-(4-methyl-2-nitrophenyl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 159.0
[M+Na]+ 285.12096 170.3
[M+NH4]+ 280.16556 166.7
[M+K]+ 301.09490 166.8
[M-H]- 261.12446 164.3
[M+Na-2H]- 283.10641 165.1
[M]+ 262.13119 161.7
[M]- 262.13229 161.7
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.