CID 28351733

247228-25-7

Structural Information

Molecular Formula
C10H12O4
SMILES
C1OC2=C(O1)C=C(C=C2)OCCCO
InChI
InChI=1S/C10H12O4/c11-4-1-5-12-8-2-3-9-10(6-8)14-7-13-9/h2-3,6,11H,1,4-5,7H2
InChIKey
DETIXCLFDUOEGJ-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yloxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

196.07356 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 139.1
[M+Na]+ 219.06278 150.6
[M+NH4]+ 214.10738 147.3
[M+K]+ 235.03672 147.5
[M-H]- 195.06628 142.7
[M+Na-2H]- 217.04823 142.7
[M]+ 196.07301 141.6
[M]- 196.07411 141.6
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