CID 3078231

Cyclohexanol, 2-(4-(4-chlorophenyl)-3,6-dihydro-1(2h)-pyridinyl)-, trans-(+-)-

Structural Information

Molecular Formula
C17H22ClNO
SMILES
C1CC[C@H]([C@@H](C1)N2CCC(=CC2)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C17H22ClNO/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-9,16-17,20H,1-4,10-12H2/t16-,17-/m1/s1
InChIKey
OPBZGCRRDODBBI-IAGOWNOFSA-N
Compound name
(1R,2R)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.13898 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14626 169.4
[M+Na]+ 314.12820 173.9
[M-H]- 290.13170 174.8
[M+NH4]+ 309.17280 183.1
[M+K]+ 330.10214 167.5
[M+H-H2O]+ 274.13624 160.7
[M+HCOO]- 336.13718 179.6
[M+CH3COO]- 350.15283 178.5
[M+Na-2H]- 312.11365 170.0
[M]+ 291.13843 163.1
[M]- 291.13953 163.1
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.