CID 3058863

Brn 1290329

Structural Information

Molecular Formula
C14H16ClN3
SMILES
C1CCN(CC1)C(=NC2=CC=C(C=C2)Cl)CC#N
InChI
InChI=1S/C14H16ClN3/c15-12-4-6-13(7-5-12)17-14(8-9-16)18-10-2-1-3-11-18/h4-7H,1-3,8,10-11H2
InChIKey
PPSWCVSAXCIRCP-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)imino-3-piperidin-1-ylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.10327 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11055 163.3
[M+Na]+ 284.09249 175.5
[M+NH4]+ 279.13709 168.6
[M+K]+ 300.06643 164.0
[M-H]- 260.09599 160.4
[M+Na-2H]- 282.07794 168.1
[M]+ 261.10272 163.6
[M]- 261.10382 163.6
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.