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

17
Patents

112.05243 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 118.4
[M+Na]+ 135.04165 127.5
[M-H]- 111.04515 121.9
[M+NH4]+ 130.08625 141.3
[M+K]+ 151.01559 127.6
[M+H-H2O]+ 95.049690 114.2
[M+HCOO]- 157.05063 142.7
[M+CH3COO]- 171.06628 164.7
[M+Na-2H]- 133.02710 125.9
[M]+ 112.05188 119.9
[M]- 112.05298 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