CID 6447015

2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)-1h-inden-1-ol

Structural Information

Molecular Formula
C17H14O3
SMILES
C\1C2=CC=CC=C2C(/C1=C/C3=CC4=C(C=C3)OCO4)O
InChI
InChI=1S/C17H14O3/c18-17-13(9-12-3-1-2-4-14(12)17)7-11-5-6-15-16(8-11)20-10-19-15/h1-8,17-18H,9-10H2/b13-7+
InChIKey
STYGNVDFCJEVPC-NTUHNPAUSA-N
Compound name
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-1,3-dihydroinden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 157.8
[M+Na]+ 289.08352 166.6
[M-H]- 265.08702 166.8
[M+NH4]+ 284.12812 176.8
[M+K]+ 305.05746 163.6
[M+H-H2O]+ 249.09156 153.1
[M+HCOO]- 311.09250 177.0
[M+CH3COO]- 325.10815 170.9
[M+Na-2H]- 287.06897 161.6
[M]+ 266.09375 158.5
[M]- 266.09485 158.5
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.