CID 605996

6-hydroxy-4,4-dimethyl-3,4-dihydro-2h-1-benzopyran-2-one

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1(CC(=O)OC2=C1C=C(C=C2)O)C
InChI
InChI=1S/C11H12O3/c1-11(2)6-10(13)14-9-4-3-7(12)5-8(9)11/h3-5,12H,6H2,1-2H3
InChIKey
UKYURFSTLUGMPH-UHFFFAOYSA-N
Compound name
6-hydroxy-4,4-dimethyl-3H-chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

192.07864 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 138.6
[M+Na]+ 215.06786 152.1
[M+NH4]+ 210.11246 148.8
[M+K]+ 231.04180 144.4
[M-H]- 191.07136 142.1
[M+Na-2H]- 213.05331 145.1
[M]+ 192.07809 141.7
[M]- 192.07919 141.7
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