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

20
Patents

188.10486 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.112136 141.3
[M+Na]+ 211.094078 148.3
[M-H]- 187.097584 141.6
[M+NH4]+ 206.138683 161.4
[M+K]+ 227.068018 148.9
[M+H-H2O]+ 171.102120 136.8
[M+HCOO]- 233.103061 163.1
[M+CH3COO]- 247.118711 182.1
[M+Na-2H]- 209.079526 146.6
[M]+ 188.10431142 147.0
[M]- 188.10540858 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