CID 3038447

40960-64-3

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
(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]+ 218.19032 152.7
[M+Na]+ 240.17226 155.6
[M-H]- 216.17576 158.1
[M+NH4]+ 235.21686 170.5
[M+K]+ 256.14620 152.5
[M+H-H2O]+ 200.18030 145.3
[M+HCOO]- 262.18124 172.5
[M+CH3COO]- 276.19689 192.9
[M+Na-2H]- 238.15771 155.6
[M]+ 217.18249 146.8
[M]- 217.18359 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.