CID 617638

Vbrrzgiqbumtmw-uhfffaoysa-n

Structural Information

Molecular Formula
C18H20O2
SMILES
C1CCC2=C(C1)C3C4C(=O)C=C5C4(C2C3=O)CCCC5
InChI
InChI=1S/C18H20O2/c19-13-9-10-5-3-4-8-18(10)15-12-7-2-1-6-11(12)14(16(13)18)17(15)20/h9,14-16H,1-8H2
InChIKey
VBRRZGIQBUMTMW-UHFFFAOYSA-N
Compound name
pentacyclo[9.6.1.02,7.02,10.012,17]octadeca-7,12(17)-diene-9,18-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.14633 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.153606 165.0
[M+Na]+ 291.135548 172.4
[M-H]- 267.139054 171.0
[M+NH4]+ 286.180153 192.6
[M+K]+ 307.109488 166.1
[M+H-H2O]+ 251.143590 160.6
[M+HCOO]- 313.144531 179.7
[M+CH3COO]- 327.160181 176.5
[M+Na-2H]- 289.120996 163.8
[M]+ 268.14578142 161.7
[M]- 268.14687858 161.7
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.