CID 21678648

3-(1,1-dimethyl-2-propenyl)-7,8-dimethoxy-2h-1-benzopyran-2-one

Structural Information

Molecular Formula
C16H18O4
SMILES
CC(C)(C=C)C1=CC2=C(C(=C(C=C2)OC)OC)OC1=O
InChI
InChI=1S/C16H18O4/c1-6-16(2,3)11-9-10-7-8-12(18-4)14(19-5)13(10)20-15(11)17/h6-9H,1H2,2-5H3
InChIKey
YSFZHXKUZLVBRX-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1205 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12778 160.0
[M+Na]+ 297.10972 170.3
[M-H]- 273.11322 166.1
[M+NH4]+ 292.15432 176.9
[M+K]+ 313.08366 168.8
[M+H-H2O]+ 257.11776 153.9
[M+HCOO]- 319.11870 180.8
[M+CH3COO]- 333.13435 201.7
[M+Na-2H]- 295.09517 166.9
[M]+ 274.11995 167.3
[M]- 274.12105 167.3
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.