CID 1585206

3-propoxy-7,8,9,10-tetrahydro-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C16H18O3
SMILES
CCCOC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2
InChI
InChI=1S/C16H18O3/c1-2-9-18-11-7-8-13-12-5-3-4-6-14(12)16(17)19-15(13)10-11/h7-8,10H,2-6,9H2,1H3
InChIKey
JWBZDJHUHBRAOA-UHFFFAOYSA-N
Compound name
3-propoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

258.12558 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.13286 155.8
[M+Na]+ 281.11480 163.9
[M-H]- 257.11830 161.6
[M+NH4]+ 276.15940 173.6
[M+K]+ 297.08874 161.3
[M+H-H2O]+ 241.12284 148.6
[M+HCOO]- 303.12378 174.6
[M+CH3COO]- 317.13943 197.2
[M+Na-2H]- 279.10025 163.3
[M]+ 258.12503 158.0
[M]- 258.12613 158.0
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.