CID 325152

Nsc293112

Structural Information

Molecular Formula
C15H18O4
SMILES
CC12CCC(=O)C(=C)CCC3C(C1O2)OC(=O)C3=C
InChI
InChI=1S/C15H18O4/c1-8-4-5-10-9(2)14(17)18-12(10)13-15(3,19-13)7-6-11(8)16/h10,12-13H,1-2,4-7H2,3H3
InChIKey
UUOFEGCVQGJQAR-UHFFFAOYSA-N
Compound name
4-methyl-8,12-dimethylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradecane-7,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1205 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.127776 152.8
[M+Na]+ 285.109718 163.3
[M-H]- 261.113224 157.8
[M+NH4]+ 280.154323 165.9
[M+K]+ 301.083658 162.7
[M+H-H2O]+ 245.117760 153.0
[M+HCOO]- 307.118701 166.6
[M+CH3COO]- 321.134351 196.4
[M+Na-2H]- 283.095166 155.5
[M]+ 262.11995142 153.5
[M]- 262.12104858 153.5
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.