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 140.8
[M+Na]+ 231.06278 150.8
[M-H]- 207.06628 151.1
[M+NH4]+ 226.10738 153.8
[M+K]+ 247.03672 152.2
[M+H-H2O]+ 191.07082 134.9
[M+HCOO]- 253.07176 161.5
[M+CH3COO]- 267.08741 154.9
[M+Na-2H]- 229.04823 149.7
[M]+ 208.07301 148.6
[M]- 208.07411 148.6
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

No patent data available for this compound.