CID 28159006

Rac-(1r,2r)-2-(2-methylphenoxy)cyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H19NO
SMILES
CC1=CC=CC=C1O[C@@H]2CCCC[C@H]2N
InChI
InChI=1S/C13H19NO/c1-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2,4,6,8,11,13H,3,5,7,9,14H2,1H3/t11-,13-/m1/s1
InChIKey
PIGQDOZIAWUYHV-DGCLKSJQSA-N
Compound name
trans-(1R,2R)-2-(2-methylphenoxy)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 147.1
[M+Na]+ 228.135888 152.0
[M-H]- 204.139394 152.7
[M+NH4]+ 223.180493 165.4
[M+K]+ 244.109828 149.1
[M+H-H2O]+ 188.143930 140.0
[M+HCOO]- 250.144871 168.1
[M+CH3COO]- 264.160521 188.5
[M+Na-2H]- 226.121336 150.6
[M]+ 205.14612142 142.0
[M]- 205.14721858 142.0
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.