CID 55026580

3-methyl-4-(3-methylpiperidin-1-yl)benzonitrile

Structural Information

Molecular Formula
C14H18N2
SMILES
CC1CCCN(C1)C2=C(C=C(C=C2)C#N)C
InChI
InChI=1S/C14H18N2/c1-11-4-3-7-16(10-11)14-6-5-13(9-15)8-12(14)2/h5-6,8,11H,3-4,7,10H2,1-2H3
InChIKey
BRHRVBDLWATAHD-UHFFFAOYSA-N
Compound name
3-methyl-4-(3-methylpiperidin-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.147 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.154276 148.7
[M+Na]+ 237.136218 157.5
[M-H]- 213.139724 152.5
[M+NH4]+ 232.180823 164.3
[M+K]+ 253.110158 152.2
[M+H-H2O]+ 197.144260 134.7
[M+HCOO]- 259.145201 164.3
[M+CH3COO]- 273.160851 201.5
[M+Na-2H]- 235.121666 151.6
[M]+ 214.14645142 140.3
[M]- 214.14754858 140.3
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

No patent data available for this compound.