CID 21608018

(5-methylfuran-3-yl)methanol

Structural Information

Molecular Formula
C6H8O2
SMILES
CC1=CC(=CO1)CO
InChI
InChI=1S/C6H8O2/c1-5-2-6(3-7)4-8-5/h2,4,7H,3H2,1H3
InChIKey
IVMUOQVJXSCZKF-UHFFFAOYSA-N
Compound name
(5-methylfuran-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 118.8
[M+Na]+ 135.04165 130.7
[M+NH4]+ 130.08625 127.6
[M+K]+ 151.01559 127.4
[M-H]- 111.04515 121.2
[M+Na-2H]- 133.02710 124.3
[M]+ 112.05188 121.1
[M]- 112.05298 121.1
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