CID 497540

132820-30-5

Structural Information

Molecular Formula
C15H16O3
SMILES
CC1(CCC2C(O1)C3=CC=CC=C3C(=O)C2=O)C
InChI
InChI=1S/C15H16O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6,11,14H,7-8H2,1-2H3
InChIKey
FGGFBHJNRSCDBK-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3,4,4a,10b-tetrahydrobenzo[h]chromene-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

244.10994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 151.5
[M+Na]+ 267.09916 160.3
[M-H]- 243.10266 157.6
[M+NH4]+ 262.14376 172.1
[M+K]+ 283.07310 158.0
[M+H-H2O]+ 227.10720 145.3
[M+HCOO]- 289.10814 167.9
[M+CH3COO]- 303.12379 194.9
[M+Na-2H]- 265.08461 158.1
[M]+ 244.10939 150.7
[M]- 244.11049 150.7
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