CID 79580

5460-79-7

Structural Information

Molecular Formula
C14H18N2O
SMILES
CN1CCC(CC1)(C#N)C2=CC(=CC=C2)OC
InChI
InChI=1S/C14H18N2O/c1-16-8-6-14(11-15,7-9-16)12-4-3-5-13(10-12)17-2/h3-5,10H,6-9H2,1-2H3
InChIKey
COYLNHITVXBZPK-UHFFFAOYSA-N
Compound name
4-(3-methoxyphenyl)-1-methylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

230.1419 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 154.0
[M+Na]+ 253.13112 166.4
[M+NH4]+ 248.17572 160.4
[M+K]+ 269.10506 154.4
[M-H]- 229.13462 150.4
[M+Na-2H]- 251.11657 160.0
[M]+ 230.14135 154.1
[M]- 230.14245 154.1
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