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]+ 127.075356 122.5
[M+Na]+ 149.057298 132.2
[M-H]- 125.060804 126.2
[M+NH4]+ 144.101903 145.2
[M+K]+ 165.031238 132.0
[M+H-H2O]+ 109.065340 118.4
[M+HCOO]- 171.066281 146.5
[M+CH3COO]- 185.081931 168.9
[M+Na-2H]- 147.042746 128.8
[M]+ 126.06753142 124.7
[M]- 126.06862858 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