CID 5480018

1-hydroxy-3,9-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

Structural Information

Molecular Formula
C15H16O3
SMILES
CC1CCC2=C(C1)C3=C(C=C(C=C3OC2=O)C)O
InChI
InChI=1S/C15H16O3/c1-8-3-4-10-11(5-8)14-12(16)6-9(2)7-13(14)18-15(10)17/h6-8,16H,3-5H2,1-2H3
InChIKey
WPWQMODURBITKV-UHFFFAOYSA-N
Compound name
1-hydroxy-3,9-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

244.10994 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 151.4
[M+Na]+ 267.09916 161.5
[M-H]- 243.10266 156.9
[M+NH4]+ 262.14376 169.9
[M+K]+ 283.07310 158.4
[M+H-H2O]+ 227.10720 145.3
[M+HCOO]- 289.10814 169.1
[M+CH3COO]- 303.12379 164.4
[M+Na-2H]- 265.08461 157.7
[M]+ 244.10939 152.5
[M]- 244.11049 152.5
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

No patent data available for this compound.