CID 3020568

2-(4-methylphenyl)piperidine

Structural Information

Molecular Formula
C12H17N
SMILES
CC1=CC=C(C=C1)C2CCCCN2
InChI
InChI=1S/C12H17N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h5-8,12-13H,2-4,9H2,1H3
InChIKey
RPMPQNRTPBUGIW-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

42
Patents

175.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 140.1
[M+Na]+ 198.125318 145.1
[M-H]- 174.128824 143.2
[M+NH4]+ 193.169923 158.0
[M+K]+ 214.099258 141.2
[M+H-H2O]+ 158.133360 132.8
[M+HCOO]- 220.134301 158.1
[M+CH3COO]- 234.149951 151.6
[M+Na-2H]- 196.110766 145.2
[M]+ 175.13555142 133.2
[M]- 175.13664858 133.2
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