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

12
Patents

180.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 134.4
[M+Na]+ 203.067858 143.8
[M-H]- 179.071364 140.7
[M+NH4]+ 198.112463 157.0
[M+K]+ 219.041798 144.8
[M+H-H2O]+ 163.075900 130.1
[M+HCOO]- 225.076841 156.8
[M+CH3COO]- 239.092491 178.9
[M+Na-2H]- 201.053306 144.2
[M]+ 180.07809142 139.1
[M]- 180.07918858 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