CID 64221520

2-((2,3-dihydro-1h-inden-5-yl)methoxy)benzaldehyde

Structural Information

Molecular Formula
C17H16O2
SMILES
C1CC2=C(C1)C=C(C=C2)COC3=CC=CC=C3C=O
InChI
InChI=1S/C17H16O2/c18-11-16-4-1-2-7-17(16)19-12-13-8-9-14-5-3-6-15(14)10-13/h1-2,4,7-11H,3,5-6,12H2
InChIKey
YDCRTUGFTHETID-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11504 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 157.2
[M+Na]+ 275.10426 164.9
[M-H]- 251.10776 164.8
[M+NH4]+ 270.14886 177.0
[M+K]+ 291.07820 160.4
[M+H-H2O]+ 235.11230 150.1
[M+HCOO]- 297.11324 180.4
[M+CH3COO]- 311.12889 170.1
[M+Na-2H]- 273.08971 161.6
[M]+ 252.11449 158.3
[M]- 252.11559 158.3
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.