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

42
Patents

184.10005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.10733 142.1
[M+Na]+ 207.08927 150.6
[M-H]- 183.09277 144.5
[M+NH4]+ 202.13387 157.6
[M+K]+ 223.06321 144.6
[M+H-H2O]+ 167.09731 128.3
[M+HCOO]- 229.09825 158.1
[M+CH3COO]- 243.11390 152.4
[M+Na-2H]- 205.07472 147.6
[M]+ 184.09950 132.0
[M]- 184.10060 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