CID 114566

Di-sec-butyl oxalate

Structural Information

Molecular Formula
C10H18O4
SMILES
CCC(C)OC(=O)C(=O)OC(C)CC
InChI
InChI=1S/C10H18O4/c1-5-7(3)13-9(11)10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKey
MTLJANFMXKYOAV-UHFFFAOYSA-N
Compound name
dibutan-2-yl oxalate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

202.12051 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12779 146.8
[M+Na]+ 225.10973 152.3
[M-H]- 201.11323 146.9
[M+NH4]+ 220.15433 166.0
[M+K]+ 241.08367 153.7
[M+H-H2O]+ 185.11777 141.7
[M+HCOO]- 247.11871 166.8
[M+CH3COO]- 261.13436 186.8
[M+Na-2H]- 223.09518 146.9
[M]+ 202.11996 151.3
[M]- 202.12106 151.3
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