CID 23158331

864866-90-0

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1(COC2=C(C1=O)C=CC(=C2)O)C
InChI
InChI=1S/C11H12O3/c1-11(2)6-14-9-5-7(12)3-4-8(9)10(11)13/h3-5,12H,6H2,1-2H3
InChIKey
NVYFOTUNFMWXCT-UHFFFAOYSA-N
Compound name
7-hydroxy-3,3-dimethyl-2H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

192.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 137.4
[M+Na]+ 215.06786 147.1
[M-H]- 191.07136 142.0
[M+NH4]+ 210.11246 158.7
[M+K]+ 231.04180 145.7
[M+H-H2O]+ 175.07590 132.6
[M+HCOO]- 237.07684 156.8
[M+CH3COO]- 251.09249 181.2
[M+Na-2H]- 213.05331 145.5
[M]+ 192.07809 138.0
[M]- 192.07919 138.0
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