CID 13094830

1,2,3,6-tetrahydropyridine-1-carbonyl chloride

Structural Information

Molecular Formula
C6H8ClNO
SMILES
C1CN(CC=C1)C(=O)Cl
InChI
InChI=1S/C6H8ClNO/c7-6(9)8-4-2-1-3-5-8/h1-2H,3-5H2
InChIKey
POTCJYKWRLJQKF-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-pyridine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

145.02943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.036706 126.2
[M+Na]+ 168.018648 133.6
[M-H]- 144.022154 127.9
[M+NH4]+ 163.063253 146.9
[M+K]+ 183.992588 131.3
[M+H-H2O]+ 128.026690 120.9
[M+HCOO]- 190.027631 142.4
[M+CH3COO]- 204.043281 170.8
[M+Na-2H]- 166.004096 132.4
[M]+ 145.02888142 124.5
[M]- 145.02997858 124.5
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