CID 649084

356554-26-2

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1=CC=C(O1)C(C2=CN=CC=C2)O
InChI
InChI=1S/C11H11NO2/c1-8-4-5-10(14-8)11(13)9-3-2-6-12-7-9/h2-7,11,13H,1H3
InChIKey
IAJIUQPRKJRSLJ-UHFFFAOYSA-N
Compound name
(5-methylfuran-2-yl)-pyridin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

189.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 139.0
[M+Na]+ 212.068198 147.2
[M-H]- 188.071704 144.2
[M+NH4]+ 207.112803 157.0
[M+K]+ 228.042138 145.7
[M+H-H2O]+ 172.076240 132.3
[M+HCOO]- 234.077181 161.0
[M+CH3COO]- 248.092831 178.9
[M+Na-2H]- 210.053646 144.6
[M]+ 189.07843142 139.8
[M]- 189.07952858 139.8
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