CID 15573

1708-42-5

Structural Information

Molecular Formula
C8H10O4
SMILES
C1C(OC(O1)C2=CC=CO2)CO
InChI
InChI=1S/C8H10O4/c9-4-6-5-11-8(12-6)7-2-1-3-10-7/h1-3,6,8-9H,4-5H2
InChIKey
BKRXMKVDYAWYHS-UHFFFAOYSA-N
Compound name
[2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

170.0579 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 132.0
[M+Na]+ 193.04712 139.3
[M-H]- 169.05062 139.3
[M+NH4]+ 188.09172 151.0
[M+K]+ 209.02106 141.6
[M+H-H2O]+ 153.05516 128.2
[M+HCOO]- 215.05610 153.4
[M+CH3COO]- 229.07175 172.3
[M+Na-2H]- 191.03257 138.0
[M]+ 170.05735 133.8
[M]- 170.05845 133.8
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