CID 71758191

4,5-dichloro-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C5H7Cl2N
SMILES
C1CNCC(=C1Cl)Cl
InChI
InChI=1S/C5H7Cl2N/c6-4-1-2-8-3-5(4)7/h8H,1-3H2
InChIKey
MAHOVBPJXQWRSZ-UHFFFAOYSA-N
Compound name
4,5-dichloro-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.99556 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.00284 125.7
[M+Na]+ 173.98478 134.2
[M-H]- 149.98828 125.5
[M+NH4]+ 169.02938 146.1
[M+K]+ 189.95872 129.4
[M+H-H2O]+ 133.99282 121.7
[M+HCOO]- 195.99376 136.0
[M+CH3COO]- 210.00941 170.0
[M+Na-2H]- 171.97023 131.6
[M]+ 150.99501 122.9
[M]- 150.99611 122.9
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

No patent data available for this compound.