CID 57985563

2-[4-(aminomethyl)piperidin-1-yl]benzonitrile hydrochloride

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CN(CCC1CN)C2=CC=CC=C2C#N
InChI
InChI=1S/C13H17N3/c14-9-11-5-7-16(8-6-11)13-4-2-1-3-12(13)10-15/h1-4,11H,5-9,14H2
InChIKey
IUTKQPXPLMAYNS-UHFFFAOYSA-N
Compound name
2-[4-(aminomethyl)piperidin-1-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

215.14224 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 150.4
[M+Na]+ 238.13146 157.8
[M-H]- 214.13496 153.3
[M+NH4]+ 233.17606 165.0
[M+K]+ 254.10540 152.5
[M+H-H2O]+ 198.13950 136.0
[M+HCOO]- 260.14044 166.4
[M+CH3COO]- 274.15609 201.6
[M+Na-2H]- 236.11691 153.6
[M]+ 215.14169 139.7
[M]- 215.14279 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