CID 6394751

Methanediol, 2-furanyl-

Structural Information

Molecular Formula
C5H6O3
SMILES
C1=COC(=C1)C(O)O
InChI
InChI=1S/C5H6O3/c6-5(7)4-2-1-3-8-4/h1-3,5-7H
InChIKey
IZWIQVOZAJLLOH-UHFFFAOYSA-N
Compound name
furan-2-ylmethanediol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

745
Patents

114.03169 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03897 118.7
[M+Na]+ 137.02091 126.5
[M-H]- 113.02441 120.7
[M+NH4]+ 132.06551 140.3
[M+K]+ 152.99485 126.9
[M+H-H2O]+ 97.028950 114.4
[M+HCOO]- 159.02989 141.0
[M+CH3COO]- 173.04554 160.9
[M+Na-2H]- 135.00636 125.5
[M]+ 114.03114 118.3
[M]- 114.03224 118.3
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