CID 15047263

4-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C11H12ClN
SMILES
C1CNCC=C1C2=CC=CC=C2Cl
InChI
InChI=1S/C11H12ClN/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-5,13H,6-8H2
InChIKey
LLKFRQWRDFJHBK-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

193.06583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.073106 140.1
[M+Na]+ 216.055048 147.3
[M-H]- 192.058554 143.4
[M+NH4]+ 211.099653 158.1
[M+K]+ 232.028988 141.6
[M+H-H2O]+ 176.063090 133.5
[M+HCOO]- 238.064031 155.2
[M+CH3COO]- 252.079681 152.1
[M+Na-2H]- 214.040496 146.2
[M]+ 193.06528142 136.3
[M]- 193.06637858 136.3
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