CID 28344993

23037-64-1

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(C)(CC1=CC2=C(C=C1)OCO2)O
InChI
InChI=1S/C11H14O3/c1-11(2,12)6-8-3-4-9-10(5-8)14-7-13-9/h3-5,12H,6-7H2,1-2H3
InChIKey
PBSGUUZLCSVFEC-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 139.9
[M+Na]+ 217.08352 151.4
[M+NH4]+ 212.12812 148.3
[M+K]+ 233.05746 148.8
[M-H]- 193.08702 143.3
[M+Na-2H]- 215.06897 143.7
[M]+ 194.09375 142.5
[M]- 194.09485 142.5
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.