CID 78670

1-methyl-4-phenylpiperidin-4-ol

Structural Information

Molecular Formula
C12H17NO
SMILES
CN1CCC(CC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C12H17NO/c1-13-9-7-12(14,8-10-13)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKey
JVMCZMQYJIRKRV-UHFFFAOYSA-N
Compound name
1-methyl-4-phenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

299
Patents

191.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.8
[M+Na]+ 214.12023 149.7
[M-H]- 190.12373 147.3
[M+NH4]+ 209.16483 163.1
[M+K]+ 230.09417 146.7
[M+H-H2O]+ 174.12827 136.8
[M+HCOO]- 236.12921 162.0
[M+CH3COO]- 250.14486 179.7
[M+Na-2H]- 212.10568 149.8
[M]+ 191.13046 138.7
[M]- 191.13156 138.7
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