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

24
Patents

192.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 137.4
[M+Na]+ 215.067858 147.1
[M-H]- 191.071364 142.0
[M+NH4]+ 210.112463 158.7
[M+K]+ 231.041798 145.7
[M+H-H2O]+ 175.075900 132.6
[M+HCOO]- 237.076841 156.8
[M+CH3COO]- 251.092491 181.2
[M+Na-2H]- 213.053306 145.5
[M]+ 192.07809142 138.0
[M]- 192.07918858 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