CID 416660

83898-13-9

Structural Information

Molecular Formula
C13H16N2
SMILES
C1CNCCC1C(C#N)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2/c14-10-13(11-4-2-1-3-5-11)12-6-8-15-9-7-12/h1-5,12-13,15H,6-9H2
InChIKey
KMTKDSAEYAXGJJ-UHFFFAOYSA-N
Compound name
2-phenyl-2-piperidin-4-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

200.13135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 147.6
[M+Na]+ 223.120568 153.7
[M-H]- 199.124074 149.2
[M+NH4]+ 218.165173 162.1
[M+K]+ 239.094508 147.9
[M+H-H2O]+ 183.128610 133.4
[M+HCOO]- 245.129551 161.1
[M+CH3COO]- 259.145201 156.6
[M+Na-2H]- 221.106016 151.2
[M]+ 200.13080142 135.6
[M]- 200.13189858 135.6
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