CID 21989

2-phenyl-2-piperidinoacetonitrile

Structural Information

Molecular Formula
C13H16N2
SMILES
C1CCN(CC1)C(C#N)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2/c14-11-13(12-7-3-1-4-8-12)15-9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKey
IXQJQHORYHYKBD-UHFFFAOYSA-N
Compound name
2-phenyl-2-piperidin-1-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

48
Patents

200.13135 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 146.2
[M+Na]+ 223.12057 152.7
[M-H]- 199.12407 149.1
[M+NH4]+ 218.16517 161.4
[M+K]+ 239.09451 147.7
[M+H-H2O]+ 183.12861 131.7
[M+HCOO]- 245.12955 161.1
[M+CH3COO]- 259.14520 155.9
[M+Na-2H]- 221.10602 150.3
[M]+ 200.13080 135.9
[M]- 200.13190 135.9
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