CID 94036

Beta-methylenepyridine-2-ethanol

Structural Information

Molecular Formula
C8H9NO
SMILES
C=C(CO)C1=CC=CC=N1
InChI
InChI=1S/C8H9NO/c1-7(6-10)8-4-2-3-5-9-8/h2-5,10H,1,6H2
InChIKey
YMJQERFTJRYEGU-UHFFFAOYSA-N
Compound name
2-pyridin-2-ylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

135.06842 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 126.6
[M+Na]+ 158.05764 134.1
[M-H]- 134.06114 127.5
[M+NH4]+ 153.10224 146.3
[M+K]+ 174.03158 131.8
[M+H-H2O]+ 118.06568 120.6
[M+HCOO]- 180.06662 148.1
[M+CH3COO]- 194.08227 170.2
[M+Na-2H]- 156.04309 133.8
[M]+ 135.06787 124.8
[M]- 135.06897 124.8
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