CID 44153231

3,4-dihydro-4,4-dimethyl-7,8-benzocoumarin

Structural Information

Molecular Formula
C15H14O2
SMILES
CC1(CC(=O)OC2=C1C=CC3=CC=CC=C32)C
InChI
InChI=1S/C15H14O2/c1-15(2)9-13(16)17-14-11-6-4-3-5-10(11)7-8-12(14)15/h3-8H,9H2,1-2H3
InChIKey
MIWUQSAQQBUPAR-UHFFFAOYSA-N
Compound name
4,4-dimethyl-3H-benzo[h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

226.09938 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.106656 147.7
[M+Na]+ 249.088598 157.5
[M-H]- 225.092104 154.2
[M+NH4]+ 244.133203 169.0
[M+K]+ 265.062538 154.8
[M+H-H2O]+ 209.096640 141.2
[M+HCOO]- 271.097581 166.7
[M+CH3COO]- 285.113231 161.3
[M+Na-2H]- 247.074046 156.7
[M]+ 226.09883142 148.5
[M]- 226.09992858 148.5
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