CID 142981984

2228611-13-8

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1CCC(CC1)(CN)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H18N2O2/c14-10-13(8-2-1-3-9-13)11-4-6-12(7-5-11)15(16)17/h4-7H,1-3,8-10,14H2
InChIKey
BLYBYIDJRHSEKM-UHFFFAOYSA-N
Compound name
[1-(4-nitrophenyl)cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 153.1
[M+Na]+ 257.12605 164.9
[M+NH4]+ 252.17065 163.3
[M+K]+ 273.09999 158.6
[M-H]- 233.12955 159.2
[M+Na-2H]- 255.11150 161.7
[M]+ 234.13628 156.4
[M]- 234.13738 156.4
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.