CID 9588760

3-pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-, o-2-propynyloxime, monohydrochloride, (e)-

Structural Information

Molecular Formula
C9H12N2O
SMILES
C#CCO/N=C/C1=CCCNC1
InChI
InChI=1S/C9H12N2O/c1-2-6-12-11-8-9-4-3-5-10-7-9/h1,4,8,10H,3,5-7H2/b11-8+
InChIKey
IRGVZKFUJKODCN-DHZHZOJOSA-N
Compound name
(E)-N-prop-2-ynoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

164.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 134.5
[M+Na]+ 187.084178 142.0
[M-H]- 163.087684 134.4
[M+NH4]+ 182.128783 151.0
[M+K]+ 203.058118 138.5
[M+H-H2O]+ 147.092220 121.5
[M+HCOO]- 209.093161 150.7
[M+CH3COO]- 223.108811 186.7
[M+Na-2H]- 185.069626 140.1
[M]+ 164.09441142 126.2
[M]- 164.09550858 126.2
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