CID 3038447

Dtxsid20961341

Structural Information

Molecular Formula
C15H23N
SMILES
CC(C)N[C@@H]1CCCC[C@@H]1C2=CC=CC=C2
InChI
InChI=1S/C15H23N/c1-12(2)16-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-5,8-9,12,14-16H,6-7,10-11H2,1-2H3/t14-,15-/m1/s1
InChIKey
RGRISJFOBIMSBP-HUUCEWRRSA-N
Compound name
cis-(1R,2R)-2-phenyl-N-propan-2-ylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.18304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.190316 152.7
[M+Na]+ 240.172258 155.6
[M-H]- 216.175764 158.1
[M+NH4]+ 235.216863 170.5
[M+K]+ 256.146198 152.5
[M+H-H2O]+ 200.180300 145.3
[M+HCOO]- 262.181241 172.5
[M+CH3COO]- 276.196891 192.9
[M+Na-2H]- 238.157706 155.6
[M]+ 217.18249142 146.8
[M]- 217.18358858 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.