CID 12763911

4-(3-methylphenyl)piperidine

Structural Information

Molecular Formula
C12H17N
SMILES
CC1=CC(=CC=C1)C2CCNCC2
InChI
InChI=1S/C12H17N/c1-10-3-2-4-12(9-10)11-5-7-13-8-6-11/h2-4,9,11,13H,5-8H2,1H3
InChIKey
JSJOAQXQUOPHDJ-UHFFFAOYSA-N
Compound name
4-(3-methylphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

181
Patents

175.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 140.1
[M+Na]+ 198.12532 145.1
[M-H]- 174.12882 143.2
[M+NH4]+ 193.16992 158.0
[M+K]+ 214.09926 141.2
[M+H-H2O]+ 158.13336 132.8
[M+HCOO]- 220.13430 158.1
[M+CH3COO]- 234.14995 151.6
[M+Na-2H]- 196.11077 145.2
[M]+ 175.13555 133.2
[M]- 175.13665 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

No literature data available for this compound.

Patent stripe

patents stripe