CID 86663438

Tert-butyl 3-(2-oxoethoxy)propanoate

Structural Information

Molecular Formula
C9H16O4
SMILES
CC(C)(C)OC(=O)CCOCC=O
InChI
InChI=1S/C9H16O4/c1-9(2,3)13-8(11)4-6-12-7-5-10/h5H,4,6-7H2,1-3H3
InChIKey
VDUFBAROEHLIMD-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-oxoethoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

188.10486 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 141.3
[M+Na]+ 211.09408 148.3
[M-H]- 187.09758 141.6
[M+NH4]+ 206.13868 161.4
[M+K]+ 227.06802 148.9
[M+H-H2O]+ 171.10212 136.8
[M+HCOO]- 233.10306 163.1
[M+CH3COO]- 247.11871 182.1
[M+Na-2H]- 209.07953 146.6
[M]+ 188.10431 147.0
[M]- 188.10541 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe