CID 22473202

432554-92-2

Structural Information

Molecular Formula
C8H9NO
SMILES
C=CC1=NC=C(C=C1)CO
InChI
InChI=1S/C8H9NO/c1-2-8-4-3-7(6-10)5-9-8/h2-5,10H,1,6H2
InChIKey
NPXRTHTXQJNMHF-UHFFFAOYSA-N
Compound name
(6-ethenyl-3-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

135.06842 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 125.8
[M+Na]+ 158.057638 134.5
[M-H]- 134.061144 127.0
[M+NH4]+ 153.102243 145.9
[M+K]+ 174.031578 131.8
[M+H-H2O]+ 118.065680 120.0
[M+HCOO]- 180.066621 148.4
[M+CH3COO]- 194.082271 170.5
[M+Na-2H]- 156.043086 133.5
[M]+ 135.06787142 125.1
[M]- 135.06896858 125.1
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