CID 10035470

139958-92-2

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1CC2=C(C(=C(C=C2)C)O)C(=O)O1
InChI
InChI=1S/C11H12O3/c1-6-3-4-8-5-7(2)14-11(13)9(8)10(6)12/h3-4,7,12H,5H2,1-2H3
InChIKey
SLYRNFYMGDTQEZ-UHFFFAOYSA-N
Compound name
8-hydroxy-3,7-dimethyl-3,4-dihydroisochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

192.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 137.6
[M+Na]+ 215.06786 147.2
[M-H]- 191.07136 142.2
[M+NH4]+ 210.11246 157.1
[M+K]+ 231.04180 145.6
[M+H-H2O]+ 175.07590 132.5
[M+HCOO]- 237.07684 157.0
[M+CH3COO]- 251.09249 182.9
[M+Na-2H]- 213.05331 143.9
[M]+ 192.07809 138.2
[M]- 192.07919 138.2
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

No patent data available for this compound.