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]+ 209.080836 140.8
[M+Na]+ 231.062778 150.8
[M-H]- 207.066284 151.1
[M+NH4]+ 226.107383 153.8
[M+K]+ 247.036718 152.2
[M+H-H2O]+ 191.070820 134.9
[M+HCOO]- 253.071761 161.5
[M+CH3COO]- 267.087411 154.9
[M+Na-2H]- 229.048226 149.7
[M]+ 208.07301142 148.6
[M]- 208.07410858 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.