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
(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]+ 206.15395 147.1
[M+Na]+ 228.13589 152.0
[M-H]- 204.13939 152.7
[M+NH4]+ 223.18049 165.4
[M+K]+ 244.10983 149.1
[M+H-H2O]+ 188.14393 140.0
[M+HCOO]- 250.14487 168.1
[M+CH3COO]- 264.16052 188.5
[M+Na-2H]- 226.12134 150.6
[M]+ 205.14612 142.0
[M]- 205.14722 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.