CID 9588760

Ru 47029

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

2
Patents

164.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 134.5
[M+Na]+ 187.08418 142.0
[M-H]- 163.08768 134.4
[M+NH4]+ 182.12878 151.0
[M+K]+ 203.05812 138.5
[M+H-H2O]+ 147.09222 121.5
[M+HCOO]- 209.09316 150.7
[M+CH3COO]- 223.10881 186.7
[M+Na-2H]- 185.06963 140.1
[M]+ 164.09441 126.2
[M]- 164.09551 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

No patent data available for this compound.