CID 11499529

7-methoxy-4,4-dimethyl-1h-2-benzopyran-1,3(4h)-dione

Structural Information

Molecular Formula
C12H12O4
SMILES
CC1(C2=C(C=C(C=C2)OC)C(=O)OC1=O)C
InChI
InChI=1S/C12H12O4/c1-12(2)9-5-4-7(15-3)6-8(9)10(13)16-11(12)14/h4-6H,1-3H3
InChIKey
XAFPBWJMFWANOI-UHFFFAOYSA-N
Compound name
7-methoxy-4,4-dimethylisochromene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

220.07356 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 141.7
[M+Na]+ 243.06278 152.4
[M-H]- 219.06628 148.0
[M+NH4]+ 238.10738 162.7
[M+K]+ 259.03672 151.9
[M+H-H2O]+ 203.07082 136.6
[M+HCOO]- 265.07176 162.7
[M+CH3COO]- 279.08741 189.4
[M+Na-2H]- 241.04823 149.4
[M]+ 220.07301 145.7
[M]- 220.07411 145.7
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

No patent data available for this compound.