CID 174128

78350-78-4

Structural Information

Molecular Formula
C9H16O6
SMILES
CCC(C)OC(=O)OOC(=O)OC(C)C
InChI
InChI=1S/C9H16O6/c1-5-7(4)13-9(11)15-14-8(10)12-6(2)3/h6-7H,5H2,1-4H3
InChIKey
AKUHVUBQELUSIY-UHFFFAOYSA-N
Compound name
butan-2-yl propan-2-yloxycarbonyloxy carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

202
Patents

220.09468 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10196 147.8
[M+Na]+ 243.08390 154.7
[M+NH4]+ 238.12850 152.2
[M+K]+ 259.05784 153.4
[M-H]- 219.08740 143.8
[M+Na-2H]- 241.06935 147.7
[M]+ 220.09413 147.0
[M]- 220.09523 147.0
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

patents stripe