CID 131751455

(e)-5-(3,4,5,6-tetrahydro-3-pyridylidenemethyl)-2-furanmethanol

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1C/C(=C/C2=CC=C(O2)CO)/C=NC1
InChI
InChI=1S/C11H13NO2/c13-8-11-4-3-10(14-11)6-9-2-1-5-12-7-9/h3-4,6-7,13H,1-2,5,8H2/b9-6-
InChIKey
HKIPZBSQJPFABU-TWGQIWQCSA-N
Compound name
[5-[(Z)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.1
[M+Na]+ 214.083858 147.8
[M-H]- 190.087364 145.4
[M+NH4]+ 209.128463 158.9
[M+K]+ 230.057798 145.7
[M+H-H2O]+ 174.091900 134.3
[M+HCOO]- 236.092841 161.4
[M+CH3COO]- 250.108491 177.3
[M+Na-2H]- 212.069306 145.9
[M]+ 191.09409142 138.8
[M]- 191.09518858 138.8
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

No patent data available for this compound.