CID 90495

Di-tert-butyl dicarbonate

Structural Information

Molecular Formula
C10H18O5
SMILES
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C
InChI
InChI=1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3
InChIKey
DYHSDKLCOJIUFX-UHFFFAOYSA-N
Compound name
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

29
References

34086
Patents

218.11542 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.122696 147.1
[M+Na]+ 241.104638 154.1
[M-H]- 217.108144 147.8
[M+NH4]+ 236.149243 166.3
[M+K]+ 257.078578 156.0
[M+H-H2O]+ 201.112680 143.3
[M+HCOO]- 263.113621 166.4
[M+CH3COO]- 277.129271 185.8
[M+Na-2H]- 239.090086 152.0
[M]+ 218.11487142 153.2
[M]- 218.11596858 153.2
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

patents stripe