CID 11106144

7-methoxy-6-methylcoumarin

Structural Information

Molecular Formula
C11H10O3
SMILES
CC1=CC2=C(C=C1OC)OC(=O)C=C2
InChI
InChI=1S/C11H10O3/c1-7-5-8-3-4-11(12)14-10(8)6-9(7)13-2/h3-6H,1-2H3
InChIKey
XROAZTOPXRDRAO-UHFFFAOYSA-N
Compound name
7-methoxy-6-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

190.06299 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 134.6
[M+Na]+ 213.05221 145.8
[M-H]- 189.05571 141.1
[M+NH4]+ 208.09681 154.8
[M+K]+ 229.02615 144.8
[M+H-H2O]+ 173.06025 128.9
[M+HCOO]- 235.06119 158.5
[M+CH3COO]- 249.07684 183.6
[M+Na-2H]- 211.03766 144.0
[M]+ 190.06244 139.6
[M]- 190.06354 139.6
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