CID 60145845

1377077-65-0

Structural Information

Molecular Formula
C11H12O4
SMILES
CC1(CC2=C(C(=CC=C2)O)C(=O)O1)OC
InChI
InChI=1S/C11H12O4/c1-11(14-2)6-7-4-3-5-8(12)9(7)10(13)15-11/h3-5,12H,6H2,1-2H3
InChIKey
AMFIIKPBEUZADT-UHFFFAOYSA-N
Compound name
8-hydroxy-3-methoxy-3-methyl-4H-isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07356 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 140.4
[M+Na]+ 231.06278 149.9
[M-H]- 207.06628 145.0
[M+NH4]+ 226.10738 160.9
[M+K]+ 247.03672 149.2
[M+H-H2O]+ 191.07082 135.4
[M+HCOO]- 253.07176 160.0
[M+CH3COO]- 267.08741 183.4
[M+Na-2H]- 229.04823 148.7
[M]+ 208.07301 142.5
[M]- 208.07411 142.5
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