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]+ 215.15428 148.7
[M+Na]+ 237.13622 157.5
[M-H]- 213.13972 152.5
[M+NH4]+ 232.18082 164.3
[M+K]+ 253.11016 152.2
[M+H-H2O]+ 197.14426 134.7
[M+HCOO]- 259.14520 164.3
[M+CH3COO]- 273.16085 201.5
[M+Na-2H]- 235.12167 151.6
[M]+ 214.14645 140.3
[M]- 214.14755 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.