CID 23545554

(4-methylfuran-2-yl)methanol

Structural Information

Molecular Formula
C6H8O2
SMILES
CC1=COC(=C1)CO
InChI
InChI=1S/C6H8O2/c1-5-2-6(3-7)8-4-5/h2,4,7H,3H2,1H3
InChIKey
GFZPVRIBUPUXRP-UHFFFAOYSA-N
Compound name
(4-methylfuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

112.05243 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.059706 118.4
[M+Na]+ 135.041648 127.5
[M-H]- 111.045154 121.9
[M+NH4]+ 130.086253 141.3
[M+K]+ 151.015588 127.6
[M+H-H2O]+ 95.049690 114.2
[M+HCOO]- 157.050631 142.7
[M+CH3COO]- 171.066281 164.7
[M+Na-2H]- 133.027096 125.9
[M]+ 112.05188142 119.9
[M]- 112.05297858 119.9
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