CID 5688256

7-hydroxy-4-(propan-2-yl)-2h-chromen-2-one

Structural Information

Molecular Formula
C12H12O3
SMILES
CC(C)C1=CC(=O)OC2=C1C=CC(=C2)O
InChI
InChI=1S/C12H12O3/c1-7(2)10-6-12(14)15-11-5-8(13)3-4-9(10)11/h3-7,13H,1-2H3
InChIKey
ZPZNGNXYGLIIKR-UHFFFAOYSA-N
Compound name
7-hydroxy-4-propan-2-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

204.07864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 140.4
[M+Na]+ 227.06786 150.4
[M-H]- 203.07136 145.3
[M+NH4]+ 222.11246 159.2
[M+K]+ 243.04180 148.7
[M+H-H2O]+ 187.07590 134.8
[M+HCOO]- 249.07684 161.3
[M+CH3COO]- 263.09249 185.0
[M+Na-2H]- 225.05331 147.4
[M]+ 204.07809 143.2
[M]- 204.07919 143.2
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

patents stripe