CID 6538959

Cb-403

Structural Information

Molecular Formula
C17H16O2
SMILES
CC1=CC=CC=C1COC2=CC=CC=C2/C=C/C=O
InChI
InChI=1S/C17H16O2/c1-14-7-2-3-9-16(14)13-19-17-11-5-4-8-15(17)10-6-12-18/h2-12H,13H2,1H3/b10-6+
InChIKey
BIYYAALWGHMYTO-UXBLZVDNSA-N
Compound name
(E)-3-[2-[(2-methylphenyl)methoxy]phenyl]prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

252.11504 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 157.5
[M+Na]+ 275.10426 165.3
[M-H]- 251.10776 164.2
[M+NH4]+ 270.14886 174.6
[M+K]+ 291.07820 160.6
[M+H-H2O]+ 235.11230 149.8
[M+HCOO]- 297.11324 181.7
[M+CH3COO]- 311.12889 195.1
[M+Na-2H]- 273.08971 162.5
[M]+ 252.11449 159.8
[M]- 252.11559 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.