CID 361187

Nsc624116

Structural Information

Molecular Formula
C20H12O2
SMILES
CC1=CC(=O)OC2=C1C=C3C=CC4=C5C3=C2C=CC5=CC=C4
InChI
InChI=1S/C20H12O2/c1-11-9-17(21)22-20-15-8-7-13-4-2-3-12-5-6-14(10-16(11)20)19(15)18(12)13/h2-10H,1H3
InChIKey
LWOPPQJPSYURKO-UHFFFAOYSA-N
Compound name
7-methylpyreno[1,2-b]pyran-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.08374 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.091016 162.4
[M+Na]+ 307.072958 175.5
[M-H]- 283.076464 170.4
[M+NH4]+ 302.117563 181.7
[M+K]+ 323.046898 170.4
[M+H-H2O]+ 267.081000 153.3
[M+HCOO]- 329.081941 182.7
[M+CH3COO]- 343.097591 176.0
[M+Na-2H]- 305.058406 174.9
[M]+ 284.08319142 170.0
[M]- 284.08428858 170.0
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

No patent data available for this compound.