CID 3048984

64230-63-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13898 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14626 162.8
[M+Na]+ 290.12820 166.5
[M-H]- 266.13170 165.2
[M+NH4]+ 285.17280 177.5
[M+K]+ 306.10214 161.7
[M+H-H2O]+ 250.13624 155.4
[M+HCOO]- 312.13718 173.3
[M+CH3COO]- 326.15283 194.7
[M+Na-2H]- 288.11365 163.3
[M]+ 267.13843 159.3
[M]- 267.13953 159.3
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.