CID 167482839

2-(methoxymethyl)-2-methyl-3,4-dihydro-2h-1-benzopyran-4-one

Structural Information

Molecular Formula
C12H14O3
SMILES
CC1(CC(=O)C2=CC=CC=C2O1)COC
InChI
InChI=1S/C12H14O3/c1-12(8-14-2)7-10(13)9-5-3-4-6-11(9)15-12/h3-6H,7-8H2,1-2H3
InChIKey
INNLXONCIVPBQJ-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-2-methyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 141.9
[M+Na]+ 229.08352 150.6
[M-H]- 205.08702 147.4
[M+NH4]+ 224.12812 163.0
[M+K]+ 245.05746 149.9
[M+H-H2O]+ 189.09156 136.4
[M+HCOO]- 251.09250 162.5
[M+CH3COO]- 265.10815 185.6
[M+Na-2H]- 227.06897 150.6
[M]+ 206.09375 144.3
[M]- 206.09485 144.3
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

patents stripe