CID 90745383

5-chloro-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C5H8ClN
SMILES
C1CNCC(=C1)Cl
InChI
InChI=1S/C5H8ClN/c6-5-2-1-3-7-4-5/h2,7H,1,3-4H2
InChIKey
GTNHQGFBXXRXPN-UHFFFAOYSA-N
Compound name
5-chloro-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

117.03453 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.04181 120.3
[M+Na]+ 140.02375 127.6
[M-H]- 116.02725 120.6
[M+NH4]+ 135.06835 141.4
[M+K]+ 155.99769 124.3
[M+H-H2O]+ 100.03179 115.5
[M+HCOO]- 162.03273 135.8
[M+CH3COO]- 176.04838 163.9
[M+Na-2H]- 138.00920 127.7
[M]+ 117.03398 116.2
[M]- 117.03508 116.2
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