CID 79906

Allyl 2-pyridyl ether

Structural Information

Molecular Formula
C8H9NO
SMILES
C=CCOC1=CC=CC=N1
InChI
InChI=1S/C8H9NO/c1-2-7-10-8-5-3-4-6-9-8/h2-6H,1,7H2
InChIKey
LVLLWFVQZIHMFA-UHFFFAOYSA-N
Compound name
2-prop-2-enoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

68
Patents

135.06842 Da
Monoisotopic Mass

2.0
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

literature stripe

Patent stripe

patents stripe