CID 10707054

1-(6-chloro-3-pyridinyl)-2-((dimethylamino)methyl)cyclohexanol hydrochloride

Structural Information

Molecular Formula
C14H21ClN2O
SMILES
CN(C)CC1CCCCC1(C2=CN=C(C=C2)Cl)O
InChI
InChI=1S/C14H21ClN2O/c1-17(2)10-12-5-3-4-8-14(12,18)11-6-7-13(15)16-9-11/h6-7,9,12,18H,3-5,8,10H2,1-2H3
InChIKey
XACXTIXNRHOMPK-UHFFFAOYSA-N
Compound name
1-(6-chloropyridin-3-yl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.13425 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14153 161.4
[M+Na]+ 291.12347 167.3
[M-H]- 267.12697 166.0
[M+NH4]+ 286.16807 178.9
[M+K]+ 307.09741 163.4
[M+H-H2O]+ 251.13151 154.3
[M+HCOO]- 313.13245 175.9
[M+CH3COO]- 327.14810 198.9
[M+Na-2H]- 289.10892 164.9
[M]+ 268.13370 160.0
[M]- 268.13480 160.0
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

patents stripe