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]+ 217.085916 142.9
[M+Na]+ 239.067858 151.0
[M-H]- 215.071364 148.3
[M+NH4]+ 234.112463 160.3
[M+K]+ 255.041798 149.8
[M+H-H2O]+ 199.075900 136.5
[M+HCOO]- 261.076841 160.2
[M+CH3COO]- 275.092491 155.8
[M+Na-2H]- 237.053306 153.1
[M]+ 216.07809142 143.4
[M]- 216.07918858 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.