CID 6447015

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

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]+ 267.101576 157.8
[M+Na]+ 289.083518 166.6
[M-H]- 265.087024 166.8
[M+NH4]+ 284.128123 176.8
[M+K]+ 305.057458 163.6
[M+H-H2O]+ 249.091560 153.1
[M+HCOO]- 311.092501 177.0
[M+CH3COO]- 325.108151 170.9
[M+Na-2H]- 287.068966 161.6
[M]+ 266.09375142 158.5
[M]- 266.09484858 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.