CID 10219638

Carbonic acid, bis(1,1-dimethylethyl) ester

Structural Information

Molecular Formula
C9H18O3
SMILES
CC(C)(C)OC(=O)OC(C)(C)C
InChI
InChI=1S/C9H18O3/c1-8(2,3)11-7(10)12-9(4,5)6/h1-6H3
InChIKey
ODCCJTMPMUFERV-UHFFFAOYSA-N
Compound name
ditert-butyl carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

20626
Patents

174.1256 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 139.0
[M+Na]+ 197.114818 146.3
[M-H]- 173.118324 139.8
[M+NH4]+ 192.159423 160.1
[M+K]+ 213.088758 147.6
[M+H-H2O]+ 157.122860 135.5
[M+HCOO]- 219.123801 158.9
[M+CH3COO]- 233.139451 180.2
[M+Na-2H]- 195.100266 145.1
[M]+ 174.12505142 143.3
[M]- 174.12614858 143.3
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