CID 3782761

157134-90-2

Structural Information

Molecular Formula
C11H12O4
SMILES
C1C(O1)COCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C11H12O4/c1-2-10-11(15-7-14-10)3-8(1)4-12-5-9-6-13-9/h1-3,9H,4-7H2
InChIKey
NZLSEGOANYTJBP-UHFFFAOYSA-N
Compound name
5-(oxiran-2-ylmethoxymethyl)-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07356 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 145.2
[M+Na]+ 231.06278 159.2
[M+NH4]+ 226.10738 154.5
[M+K]+ 247.03672 157.0
[M-H]- 207.06628 158.8
[M+Na-2H]- 229.04823 152.3
[M]+ 208.07301 152.2
[M]- 208.07411 152.2
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.