CID 85815

15190-14-4

Structural Information

Molecular Formula
C14H18N2O
SMILES
COC1=CC=C(C=C1)C(C#N)N2CCCCC2
InChI
InChI=1S/C14H18N2O/c1-17-13-7-5-12(6-8-13)14(11-15)16-9-3-2-4-10-16/h5-8,14H,2-4,9-10H2,1H3
InChIKey
CYRKWIBBOQIQTG-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-2-piperidin-1-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 152.5
[M+Na]+ 253.131118 159.3
[M-H]- 229.134624 155.6
[M+NH4]+ 248.175723 166.8
[M+K]+ 269.105058 154.8
[M+H-H2O]+ 213.139160 137.9
[M+HCOO]- 275.140101 167.3
[M+CH3COO]- 289.155751 202.1
[M+Na-2H]- 251.116566 155.5
[M]+ 230.14135142 144.1
[M]- 230.14244858 144.1
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

No patent data available for this compound.