CID 3056581

1-(m-chlorophenyl)-2-(dimethylaminomethyl)cyclohexanol

Structural Information

Molecular Formula
C15H22ClNO
SMILES
CN(C)CC1CCCCC1(C2=CC(=CC=C2)Cl)O
InChI
InChI=1S/C15H22ClNO/c1-17(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(16)10-12/h5,7-8,10,13,18H,3-4,6,9,11H2,1-2H3
InChIKey
YCYVEJKHHUUACO-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

267.13898 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14626 162.0
[M+Na]+ 290.12820 167.6
[M-H]- 266.13170 167.9
[M+NH4]+ 285.17280 181.0
[M+K]+ 306.10214 163.5
[M+H-H2O]+ 250.13624 156.0
[M+HCOO]- 312.13718 177.5
[M+CH3COO]- 326.15283 199.3
[M+Na-2H]- 288.11365 164.8
[M]+ 267.13843 160.5
[M]- 267.13953 160.5
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