CID 362095

Nsc625624

Structural Information

Molecular Formula
C19H14O2
SMILES
CC12C3=C(C(C4=CC=CC=C41)OO2)C5=CC=CC=C5C=C3
InChI
InChI=1S/C19H14O2/c1-19-15-9-5-4-8-14(15)18(20-21-19)17-13-7-3-2-6-12(13)10-11-16(17)19/h2-11,18H,1H3
InChIKey
BKPSIVHKYKDHJO-UHFFFAOYSA-N
Compound name
12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09937 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10665 154.9
[M+Na]+ 297.08859 162.4
[M-H]- 273.09209 159.9
[M+NH4]+ 292.13319 175.6
[M+K]+ 313.06253 159.7
[M+H-H2O]+ 257.09663 144.4
[M+HCOO]- 319.09757 165.8
[M+CH3COO]- 333.11322 166.1
[M+Na-2H]- 295.07404 168.6
[M]+ 274.09882 159.1
[M]- 274.09992 159.1
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.