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 151.0
[M+Na]+ 269.07842 161.0
[M-H]- 245.08192 157.3
[M+NH4]+ 264.12302 169.5
[M+K]+ 285.05236 160.0
[M+H-H2O]+ 229.08646 146.6
[M+HCOO]- 291.08740 169.0
[M+CH3COO]- 305.10305 191.0
[M+Na-2H]- 267.06387 159.4
[M]+ 246.08865 154.9
[M]- 246.08975 154.9
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