CID 535295

3-(prop-2-en-1-yloxy)pyridine

Structural Information

Molecular Formula
C8H9NO
SMILES
C=CCOC1=CN=CC=C1
InChI
InChI=1S/C8H9NO/c1-2-6-10-8-4-3-5-9-7-8/h2-5,7H,1,6H2
InChIKey
KUWSQDFSFCOXTF-UHFFFAOYSA-N
Compound name
3-prop-2-enoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

135.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 125.4
[M+Na]+ 158.05764 133.6
[M-H]- 134.06114 127.6
[M+NH4]+ 153.10224 145.9
[M+K]+ 174.03158 131.8
[M+H-H2O]+ 118.06568 119.1
[M+HCOO]- 180.06662 149.5
[M+CH3COO]- 194.08227 172.1
[M+Na-2H]- 156.04309 134.4
[M]+ 135.06787 126.2
[M]- 135.06897 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