CID 384923

Nsc675726

Structural Information

Molecular Formula
C18H30O5
SMILES
CCCCOC(=O)OC1CCC2(CC3CCC2(C1(C)C)OO3)C
InChI
InChI=1S/C18H30O5/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/h13-14H,5-12H2,1-4H3
InChIKey
PGXROGJUTKCNEB-UHFFFAOYSA-N
Compound name
butyl (2,2,6-trimethyl-9,10-dioxatricyclo[6.2.2.01,6]dodecan-3-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.20932 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21660 175.1
[M+Na]+ 349.19854 178.3
[M-H]- 325.20204 174.5
[M+NH4]+ 344.24314 196.6
[M+K]+ 365.17248 179.1
[M+H-H2O]+ 309.20658 168.0
[M+HCOO]- 371.20752 179.6
[M+CH3COO]- 385.22317 212.1
[M+Na-2H]- 347.18399 184.5
[M]+ 326.20877 180.6
[M]- 326.20987 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.