CID 41892

Brn 0227838

Structural Information

Molecular Formula
C13H12O3
SMILES
C1C(OC2=CC3=CC=CC=C3C=C2O1)CO
InChI
InChI=1S/C13H12O3/c14-7-11-8-15-12-5-9-3-1-2-4-10(9)6-13(12)16-11/h1-6,11,14H,7-8H2
InChIKey
RVNRTBZUVLNWFV-UHFFFAOYSA-N
Compound name
2,3-dihydrobenzo[g][1,4]benzodioxin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 142.9
[M+Na]+ 239.06786 151.0
[M-H]- 215.07136 148.3
[M+NH4]+ 234.11246 160.3
[M+K]+ 255.04180 149.8
[M+H-H2O]+ 199.07590 136.5
[M+HCOO]- 261.07684 160.2
[M+CH3COO]- 275.09249 155.8
[M+Na-2H]- 237.05331 153.1
[M]+ 216.07809 143.4
[M]- 216.07919 143.4
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.