CID 285869

2,2-dimethyl-1,3-benzodioxole

Structural Information

Molecular Formula
C9H10O2
SMILES
CC1(OC2=CC=CC=C2O1)C
InChI
InChI=1S/C9H10O2/c1-9(2)10-7-5-3-4-6-8(7)11-9/h3-6H,1-2H3
InChIKey
BWBIFYYKIWPTRV-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

480
Patents

150.06808 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 127.1
[M+Na]+ 173.05730 140.5
[M+NH4]+ 168.10190 138.5
[M+K]+ 189.03124 134.6
[M-H]- 149.06080 132.3
[M+Na-2H]- 171.04275 134.2
[M]+ 150.06753 130.8
[M]- 150.06863 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe