CID 77966

6,7-dimethoxy-4-methylcoumarin

Structural Information

Molecular Formula
C12H12O4
SMILES
CC1=CC(=O)OC2=CC(=C(C=C12)OC)OC
InChI
InChI=1S/C12H12O4/c1-7-4-12(13)16-9-6-11(15-3)10(14-2)5-8(7)9/h4-6H,1-3H3
InChIKey
GBYDSYPGGDKWGZ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

43
Patents

220.07356 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 142.2
[M+Na]+ 243.06278 153.7
[M-H]- 219.06628 148.8
[M+NH4]+ 238.10738 161.4
[M+K]+ 259.03672 153.1
[M+H-H2O]+ 203.07082 136.2
[M+HCOO]- 265.07176 165.9
[M+CH3COO]- 279.08741 190.0
[M+Na-2H]- 241.04823 150.4
[M]+ 220.07301 149.4
[M]- 220.07411 149.4
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