CID 11160226

3-[(4-aminopiperidin-1-yl)methyl]benzonitrile

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CN(CCC1N)CC2=CC(=CC=C2)C#N
InChI
InChI=1S/C13H17N3/c14-9-11-2-1-3-12(8-11)10-16-6-4-13(15)5-7-16/h1-3,8,13H,4-7,10,15H2
InChIKey
LXXDAJSGINOLSW-UHFFFAOYSA-N
Compound name
3-[(4-aminopiperidin-1-yl)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

215.14224 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 150.4
[M+Na]+ 238.131458 157.8
[M-H]- 214.134964 153.3
[M+NH4]+ 233.176063 165.0
[M+K]+ 254.105398 152.5
[M+H-H2O]+ 198.139500 136.0
[M+HCOO]- 260.140441 166.4
[M+CH3COO]- 274.156091 201.6
[M+Na-2H]- 236.116906 153.6
[M]+ 215.14169142 139.7
[M]- 215.14278858 139.7
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