CID 44594

63690-11-9

Structural Information

Molecular Formula
C11H14O3
SMILES
CC1C(OC2=CC=CC=C2O1)CCO
InChI
InChI=1S/C11H14O3/c1-8-9(6-7-12)14-11-5-3-2-4-10(11)13-8/h2-5,8-9,12H,6-7H2,1H3
InChIKey
GPFXMOUKKRIXTF-UHFFFAOYSA-N
Compound name
2-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 140.4
[M+Na]+ 217.08352 147.9
[M-H]- 193.08702 144.8
[M+NH4]+ 212.12812 157.9
[M+K]+ 233.05746 147.8
[M+H-H2O]+ 177.09156 134.6
[M+HCOO]- 239.09250 158.6
[M+CH3COO]- 253.10815 181.5
[M+Na-2H]- 215.06897 148.7
[M]+ 194.09375 141.5
[M]- 194.09485 141.5
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.