CID 17196730

4-(3-methylphenoxy)piperidine

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1=CC(=CC=C1)OC2CCNCC2
InChI
InChI=1S/C12H17NO/c1-10-3-2-4-12(9-10)14-11-5-7-13-8-6-11/h2-4,9,11,13H,5-8H2,1H3
InChIKey
RTSXWJCYCFVWBU-UHFFFAOYSA-N
Compound name
4-(3-methylphenoxy)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

191.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.5
[M+Na]+ 214.120228 148.3
[M-H]- 190.123734 146.5
[M+NH4]+ 209.164833 160.6
[M+K]+ 230.094168 145.0
[M+H-H2O]+ 174.128270 135.9
[M+HCOO]- 236.129211 161.6
[M+CH3COO]- 250.144861 180.2
[M+Na-2H]- 212.105676 148.5
[M]+ 191.13046142 138.0
[M]- 191.13155858 138.0
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