CID 10396847

(2,5-dimethylfuran-3-yl)methanol

Structural Information

Molecular Formula
C7H10O2
SMILES
CC1=CC(=C(O1)C)CO
InChI
InChI=1S/C7H10O2/c1-5-3-7(4-8)6(2)9-5/h3,8H,4H2,1-2H3
InChIKey
YZKVNZQOYBRCPL-UHFFFAOYSA-N
Compound name
(2,5-dimethylfuran-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

126.06808 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 122.5
[M+Na]+ 149.05730 132.2
[M-H]- 125.06080 126.2
[M+NH4]+ 144.10190 145.2
[M+K]+ 165.03124 132.0
[M+H-H2O]+ 109.06534 118.4
[M+HCOO]- 171.06628 146.5
[M+CH3COO]- 185.08193 168.9
[M+Na-2H]- 147.04275 128.8
[M]+ 126.06753 124.7
[M]- 126.06863 124.7
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