CID 49874704

Akos000277841

Structural Information

Molecular Formula
C14H14O4
SMILES
CC(C)(C1COC2=C1C=C3C=CC(=O)OC3=C2)O
InChI
InChI=1S/C14H14O4/c1-14(2,16)10-7-17-12-6-11-8(5-9(10)12)3-4-13(15)18-11/h3-6,10,16H,7H2,1-2H3
InChIKey
YGWFATZZDWWLRC-UHFFFAOYSA-N
Compound name
3-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

338
Patents

246.0892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 150.5
[M+Na]+ 269.07842 163.6
[M+NH4]+ 264.12302 158.9
[M+K]+ 285.05236 160.7
[M-H]- 245.08192 154.5
[M+Na-2H]- 267.06387 154.0
[M]+ 246.08865 153.6
[M]- 246.08975 153.6
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

patents stripe