CID 500190

Nsc663600

Structural Information

Molecular Formula
C12H14O4
SMILES
CC1C(OC2=CC(=CC(=C2C1=O)O)OC)C
InChI
InChI=1S/C12H14O4/c1-6-7(2)16-10-5-8(15-3)4-9(13)11(10)12(6)14/h4-7,13H,1-3H3
InChIKey
MQWHUFWAXVQXEJ-UHFFFAOYSA-N
Compound name
5-hydroxy-7-methoxy-2,3-dimethyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0892 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 145.0
[M+Na]+ 245.07842 154.9
[M-H]- 221.08192 149.8
[M+NH4]+ 240.12302 163.4
[M+K]+ 261.05236 153.8
[M+H-H2O]+ 205.08646 139.6
[M+HCOO]- 267.08740 164.1
[M+CH3COO]- 281.10305 189.5
[M+Na-2H]- 243.06387 150.1
[M]+ 222.08865 147.8
[M]- 222.08975 147.8
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.