CID 202393

Trans-2-methylamino-2-phenylcyclohexanol

Structural Information

Molecular Formula
C13H19NO
SMILES
CN[C@]1(CCCC[C@H]1O)C2=CC=CC=C2
InChI
InChI=1S/C13H19NO/c1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11/h2-4,7-8,12,14-15H,5-6,9-10H2,1H3/t12-,13-/m1/s1
InChIKey
LMYKPGOMBOFCPO-CHWSQXEVSA-N
Compound name
(1R,2R)-2-(methylamino)-2-phenylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 147.2
[M+Na]+ 228.13589 151.8
[M-H]- 204.13939 151.9
[M+NH4]+ 223.18049 166.9
[M+K]+ 244.10983 148.6
[M+H-H2O]+ 188.14393 140.8
[M+HCOO]- 250.14487 167.4
[M+CH3COO]- 264.16052 185.0
[M+Na-2H]- 226.12134 153.1
[M]+ 205.14612 141.2
[M]- 205.14722 141.2
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.