CID 3056530

1-(3-methyl-1-phenylbutyl)piperidine hydrochloride

Structural Information

Molecular Formula
C16H25N
SMILES
CC(C)CC(C1=CC=CC=C1)N2CCCCC2
InChI
InChI=1S/C16H25N/c1-14(2)13-16(15-9-5-3-6-10-15)17-11-7-4-8-12-17/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3
InChIKey
QEABMSMLXZGZMD-UHFFFAOYSA-N
Compound name
1-(3-methyl-1-phenylbutyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.1987 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.20598 158.3
[M+Na]+ 254.18792 160.3
[M-H]- 230.19142 161.7
[M+NH4]+ 249.23252 174.0
[M+K]+ 270.16186 157.4
[M+H-H2O]+ 214.19596 149.8
[M+HCOO]- 276.19690 174.3
[M+CH3COO]- 290.21255 193.5
[M+Na-2H]- 252.17337 159.8
[M]+ 231.19815 152.9
[M]- 231.19925 152.9
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