CID 67376604

4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile hydrochloride

Structural Information

Molecular Formula
C12H12N2
SMILES
C1CNCC=C1C2=CC=C(C=C2)C#N
InChI
InChI=1S/C12H12N2/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1-5,14H,6-8H2
InChIKey
UNFKTNRHUAHJQY-UHFFFAOYSA-N
Compound name
4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

184.10005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.107326 142.1
[M+Na]+ 207.089268 150.6
[M-H]- 183.092774 144.5
[M+NH4]+ 202.133873 157.6
[M+K]+ 223.063208 144.6
[M+H-H2O]+ 167.097310 128.3
[M+HCOO]- 229.098251 158.1
[M+CH3COO]- 243.113901 152.4
[M+Na-2H]- 205.074716 147.6
[M]+ 184.09950142 132.0
[M]- 184.10059858 132.0
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