CID 14648212

Tert-butyl ethyl oxalate

Structural Information

Molecular Formula
C8H14O4
SMILES
CCOC(=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C8H14O4/c1-5-11-6(9)7(10)12-8(2,3)4/h5H2,1-4H3
InChIKey
ZFGBGKKWENABEC-UHFFFAOYSA-N
Compound name
2-O-tert-butyl 1-O-ethyl oxalate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

174.0892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 136.5
[M+Na]+ 197.07842 143.8
[M-H]- 173.08192 137.2
[M+NH4]+ 192.12302 157.2
[M+K]+ 213.05236 145.2
[M+H-H2O]+ 157.08646 132.4
[M+HCOO]- 219.08740 157.7
[M+CH3COO]- 233.10305 178.6
[M+Na-2H]- 195.06387 141.1
[M]+ 174.08865 141.0
[M]- 174.08975 141.0
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