CID 31738

4-benzylpiperidine

Structural Information

Molecular Formula
C12H17N
SMILES
C1CNCCC1CC2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2
InChIKey
ABGXADJDTPFFSZ-UHFFFAOYSA-N
Compound name
4-benzylpiperidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

5308
Patents

175.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 140.2
[M+Na]+ 198.12532 144.1
[M-H]- 174.12882 142.8
[M+NH4]+ 193.16992 157.6
[M+K]+ 214.09926 140.3
[M+H-H2O]+ 158.13336 132.5
[M+HCOO]- 220.13430 158.1
[M+CH3COO]- 234.14995 151.2
[M+Na-2H]- 196.11077 145.9
[M]+ 175.13555 132.8
[M]- 175.13665 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe