CID 3024241

94278-24-7

Structural Information

Molecular Formula
C9H14O4
SMILES
CC(COCC1=CC=C(O1)CO)O
InChI
InChI=1S/C9H14O4/c1-7(11)5-12-6-9-3-2-8(4-10)13-9/h2-3,7,10-11H,4-6H2,1H3
InChIKey
YQMOGPDNNMQUQO-UHFFFAOYSA-N
Compound name
1-[[5-(hydroxymethyl)furan-2-yl]methoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 139.8
[M+Na]+ 209.078418 146.7
[M-H]- 185.081924 141.4
[M+NH4]+ 204.123023 158.7
[M+K]+ 225.052358 146.6
[M+H-H2O]+ 169.086460 134.7
[M+HCOO]- 231.087401 161.0
[M+CH3COO]- 245.103051 176.3
[M+Na-2H]- 207.063866 143.8
[M]+ 186.08865142 142.7
[M]- 186.08974858 142.7
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

No patent data available for this compound.