CID 370761

Nsc644284

Structural Information

Molecular Formula
C17H16O2
SMILES
C1C(C2CC3(C1C4=CC=CC=C4C=C3)C=CC2=O)O
InChI
InChI=1S/C17H16O2/c18-15-6-8-17-7-5-11-3-1-2-4-12(11)14(17)9-16(19)13(15)10-17/h1-8,13-14,16,19H,9-10H2
InChIKey
ZGYJZLDCXGPSBY-UHFFFAOYSA-N
Compound name
12-hydroxytetracyclo[11.3.1.01,10.04,9]heptadeca-2,4,6,8,15-pentaen-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 155.9
[M+Na]+ 275.10426 163.3
[M-H]- 251.10776 159.6
[M+NH4]+ 270.14886 177.4
[M+K]+ 291.07820 157.8
[M+H-H2O]+ 235.11230 148.5
[M+HCOO]- 297.11324 170.3
[M+CH3COO]- 311.12889 167.0
[M+Na-2H]- 273.08971 163.8
[M]+ 252.11449 152.5
[M]- 252.11559 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.