CID 76190

1-benzylpiperidine

Structural Information

Molecular Formula
C12H17N
SMILES
C1CCN(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2
InChIKey
NZVZVGPYTICZBZ-UHFFFAOYSA-N
Compound name
1-benzylpiperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

60
References

7365
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 139.7
[M+Na]+ 198.125318 144.0
[M-H]- 174.128824 143.7
[M+NH4]+ 193.169923 157.9
[M+K]+ 214.099258 141.2
[M+H-H2O]+ 158.133360 131.7
[M+HCOO]- 220.134301 159.1
[M+CH3COO]- 234.149951 151.4
[M+Na-2H]- 196.110766 145.9
[M]+ 175.13555142 134.2
[M]- 175.13664858 134.2
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