CID 110718

1-(furfuryloxy)propan-2-ol

Structural Information

Molecular Formula
C8H12O3
SMILES
CC(COCC1=CC=CO1)O
InChI
InChI=1S/C8H12O3/c1-7(9)5-10-6-8-3-2-4-11-8/h2-4,7,9H,5-6H2,1H3
InChIKey
YVAQESYVWRGTLJ-UHFFFAOYSA-N
Compound name
1-(furan-2-ylmethoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

156.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 132.3
[M+Na]+ 179.067858 139.3
[M-H]- 155.071364 135.1
[M+NH4]+ 174.112463 152.9
[M+K]+ 195.041798 139.8
[M+H-H2O]+ 139.075900 127.2
[M+HCOO]- 201.076841 155.1
[M+CH3COO]- 215.092491 172.5
[M+Na-2H]- 177.053306 138.0
[M]+ 156.07809142 134.9
[M]- 156.07918858 134.9
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