CID 30149

(5-benzylfuran-2-yl)methanol

Structural Information

Molecular Formula
C12H12O2
SMILES
C1=CC=C(C=C1)CC2=CC=C(O2)CO
InChI
InChI=1S/C12H12O2/c13-9-12-7-6-11(14-12)8-10-4-2-1-3-5-10/h1-7,13H,8-9H2
InChIKey
PHXXNWVSXYIPEI-UHFFFAOYSA-N
Compound name
(5-benzylfuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

188.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.090996 138.9
[M+Na]+ 211.072938 146.9
[M-H]- 187.076444 145.2
[M+NH4]+ 206.117543 158.4
[M+K]+ 227.046878 144.8
[M+H-H2O]+ 171.080980 133.0
[M+HCOO]- 233.081921 162.8
[M+CH3COO]- 247.097571 178.5
[M+Na-2H]- 209.058386 145.3
[M]+ 188.08317142 140.1
[M]- 188.08426858 140.1
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