CID 384924

Nsc675727

Structural Information

Molecular Formula
C18H28O5
SMILES
CCCCOC(=O)OC1CCC2(CC3C=CC2(C1(C)C)OO3)C
InChI
InChI=1S/C18H28O5/c1-5-6-11-20-15(19)21-14-8-9-17(4)12-13-7-10-18(17,23-22-13)16(14,2)3/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3
InChIKey
XSGDRKMUKRDUFD-UHFFFAOYSA-N
Compound name
butyl (2,2,6-trimethyl-9,10-dioxatricyclo[6.2.2.01,6]dodec-11-en-3-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.19366 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20094 174.2
[M+Na]+ 347.18288 178.5
[M-H]- 323.18638 174.1
[M+NH4]+ 342.22748 196.0
[M+K]+ 363.15682 179.2
[M+H-H2O]+ 307.19092 167.0
[M+HCOO]- 369.19186 180.2
[M+CH3COO]- 383.20751 211.7
[M+Na-2H]- 345.16833 184.6
[M]+ 324.19311 181.2
[M]- 324.19421 181.2
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.