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

19
Patents

145.02943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03671 126.2
[M+Na]+ 168.01865 133.6
[M-H]- 144.02215 127.9
[M+NH4]+ 163.06325 146.9
[M+K]+ 183.99259 131.3
[M+H-H2O]+ 128.02669 120.9
[M+HCOO]- 190.02763 142.4
[M+CH3COO]- 204.04328 170.8
[M+Na-2H]- 166.00410 132.4
[M]+ 145.02888 124.5
[M]- 145.02998 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