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]+ 192.10192 141.1
[M+Na]+ 214.08386 147.8
[M-H]- 190.08736 145.4
[M+NH4]+ 209.12846 158.9
[M+K]+ 230.05780 145.7
[M+H-H2O]+ 174.09190 134.3
[M+HCOO]- 236.09284 161.4
[M+CH3COO]- 250.10849 177.3
[M+Na-2H]- 212.06931 145.9
[M]+ 191.09409 138.8
[M]- 191.09519 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.