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

188
Patents

175.1361 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

patents stripe