CID 12201521

2-(1-benzylpiperidin-4-ylidene)acetonitrile

Structural Information

Molecular Formula
C14H16N2
SMILES
C1CN(CCC1=CC#N)CC2=CC=CC=C2
InChI
InChI=1S/C14H16N2/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14/h1-6H,7-8,10-12H2
InChIKey
GGCMXNUEQZLZHX-UHFFFAOYSA-N
Compound name
2-(1-benzylpiperidin-4-ylidene)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

212.13135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 149.3
[M+Na]+ 235.120568 156.9
[M-H]- 211.124074 152.4
[M+NH4]+ 230.165173 164.4
[M+K]+ 251.094508 150.8
[M+H-H2O]+ 195.128610 134.9
[M+HCOO]- 257.129551 165.0
[M+CH3COO]- 271.145201 198.2
[M+Na-2H]- 233.106016 153.4
[M]+ 212.13080142 139.5
[M]- 212.13189858 139.5
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