CID 5095008

2-ethoxy-2-methyl-1,3-benzodioxole

Structural Information

Molecular Formula
C10H12O3
SMILES
CCOC1(OC2=CC=CC=C2O1)C
InChI
InChI=1S/C10H12O3/c1-3-11-10(2)12-8-6-4-5-7-9(8)13-10/h4-7H,3H2,1-2H3
InChIKey
CIRZUFDZFFLOOU-UHFFFAOYSA-N
Compound name
2-ethoxy-2-methyl-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

180.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 134.4
[M+Na]+ 203.06786 143.8
[M-H]- 179.07136 140.7
[M+NH4]+ 198.11246 157.0
[M+K]+ 219.04180 144.8
[M+H-H2O]+ 163.07590 130.1
[M+HCOO]- 225.07684 156.8
[M+CH3COO]- 239.09249 178.9
[M+Na-2H]- 201.05331 144.2
[M]+ 180.07809 139.1
[M]- 180.07919 139.1
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