CID 3744106

307549-72-0

Structural Information

Molecular Formula
C17H18O3
SMILES
CC(=C)COC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2
InChI
InChI=1S/C17H18O3/c1-11(2)10-19-12-7-8-14-13-5-3-4-6-15(13)17(18)20-16(14)9-12/h7-9H,1,3-6,10H2,2H3
InChIKey
DLVFLXAILXHLAT-UHFFFAOYSA-N
Compound name
3-(2-methylprop-2-enoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12558 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 159.4
[M+Na]+ 293.11480 167.0
[M-H]- 269.11830 165.1
[M+NH4]+ 288.15940 176.6
[M+K]+ 309.08874 164.1
[M+H-H2O]+ 253.12284 152.2
[M+HCOO]- 315.12378 177.0
[M+CH3COO]- 329.13943 200.3
[M+Na-2H]- 291.10025 165.1
[M]+ 270.12503 160.7
[M]- 270.12613 160.7
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.