CID 5354284

5,7-dihydroxy-4-methylcoumarin

Structural Information

Molecular Formula
C10H8O4
SMILES
CC1=CC(=O)OC2=CC(=CC(=C12)O)O
InChI
InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
InChIKey
QNVWGEJMXOQQPM-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

391
Patents

192.04225 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 134.2
[M+Na]+ 215.03147 145.7
[M-H]- 191.03497 138.3
[M+NH4]+ 210.07607 153.1
[M+K]+ 231.00541 143.7
[M+H-H2O]+ 175.03951 129.1
[M+HCOO]- 237.04045 155.4
[M+CH3COO]- 251.05610 179.1
[M+Na-2H]- 213.01692 142.4
[M]+ 192.04170 137.0
[M]- 192.04280 137.0
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