CID 584385

2,6-dimethyl-3,4-dihydro-2h-1-benzopyran-4-one

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1CC(=O)C2=C(O1)C=CC(=C2)C
InChI
InChI=1S/C11H12O2/c1-7-3-4-11-9(5-7)10(12)6-8(2)13-11/h3-5,8H,6H2,1-2H3
InChIKey
KMJGVNLHBBEOQD-UHFFFAOYSA-N
Compound name
2,6-dimethyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

176.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 133.9
[M+Na]+ 199.07294 143.1
[M-H]- 175.07644 139.6
[M+NH4]+ 194.11754 154.6
[M+K]+ 215.04688 141.9
[M+H-H2O]+ 159.08098 128.5
[M+HCOO]- 221.08192 154.7
[M+CH3COO]- 235.09757 182.1
[M+Na-2H]- 197.05839 141.4
[M]+ 176.08317 134.5
[M]- 176.08427 134.5
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