CID 45096679

4-(4-methylphenyl)piperidine-4-carbonitrilehydrochloride

Structural Information

Molecular Formula
C13H16N2
SMILES
CC1=CC=C(C=C1)C2(CCNCC2)C#N
InChI
InChI=1S/C13H16N2/c1-11-2-4-12(5-3-11)13(10-14)6-8-15-9-7-13/h2-5,15H,6-9H2,1H3
InChIKey
YJPRTJBXMSFKAH-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.13135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 147.5
[M+Na]+ 223.12057 156.0
[M-H]- 199.12407 150.1
[M+NH4]+ 218.16517 164.4
[M+K]+ 239.09451 149.5
[M+H-H2O]+ 183.12861 134.1
[M+HCOO]- 245.12955 162.2
[M+CH3COO]- 259.14520 157.5
[M+Na-2H]- 221.10602 152.6
[M]+ 200.13080 136.8
[M]- 200.13190 136.8
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