CID 3048980

64230-61-1

Structural Information

Molecular Formula
C15H22ClNO
SMILES
CC(CC1=CC=C(C=C1)Cl)(CO)N2CCCCC2
InChI
InChI=1S/C15H22ClNO/c1-15(12-18,17-9-3-2-4-10-17)11-13-5-7-14(16)8-6-13/h5-8,18H,2-4,9-12H2,1H3
InChIKey
AZZAYTYANNOJBH-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 163.6
[M+Na]+ 290.12820 168.3
[M-H]- 266.13170 166.2
[M+NH4]+ 285.17280 178.6
[M+K]+ 306.10214 162.9
[M+H-H2O]+ 250.13624 156.4
[M+HCOO]- 312.13718 174.5
[M+CH3COO]- 326.15283 193.4
[M+Na-2H]- 288.11365 167.1
[M]+ 267.13843 160.8
[M]- 267.13953 160.8
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.