CID 3015582

N-cyclohexyl-n-methyl-o-nitrobenzylamine

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CN(CC1=CC=CC=C1[N+](=O)[O-])C2CCCCC2
InChI
InChI=1S/C14H20N2O2/c1-15(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)16(17)18/h5-7,10,13H,2-4,8-9,11H2,1H3
InChIKey
GDRZPWMSPDDHEA-UHFFFAOYSA-N
Compound name
N-methyl-N-[(2-nitrophenyl)methyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

248.15248 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 157.2
[M+Na]+ 271.141698 159.4
[M-H]- 247.145204 163.9
[M+NH4]+ 266.186303 173.2
[M+K]+ 287.115638 153.8
[M+H-H2O]+ 231.149740 153.7
[M+HCOO]- 293.150681 179.9
[M+CH3COO]- 307.166331 194.0
[M+Na-2H]- 269.127146 162.0
[M]+ 248.15193142 151.8
[M]- 248.15302858 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

literature stripe

Patent stripe

patents stripe