CID 69651

Di-tert-butyl oxalate

Structural Information

Molecular Formula
C10H18O4
SMILES
CC(C)(C)OC(=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H18O4/c1-9(2,3)13-7(11)8(12)14-10(4,5)6/h1-6H3
InChIKey
CIYGMWIAXRMHQS-UHFFFAOYSA-N
Compound name
ditert-butyl oxalate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

6167
Patents

202.12051 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12779 144.0
[M+Na]+ 225.10973 151.1
[M-H]- 201.11323 144.8
[M+NH4]+ 220.15433 163.9
[M+K]+ 241.08367 152.5
[M+H-H2O]+ 185.11777 140.4
[M+HCOO]- 247.11871 163.1
[M+CH3COO]- 261.13436 184.4
[M+Na-2H]- 223.09518 148.8
[M]+ 202.11996 148.8
[M]- 202.12106 148.8
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