CID 20636109

Tert-butyl 4-methoxy-3-oxobutanoate

Structural Information

Molecular Formula
C9H16O4
SMILES
CC(C)(C)OC(=O)CC(=O)COC
InChI
InChI=1S/C9H16O4/c1-9(2,3)13-8(11)5-7(10)6-12-4/h5-6H2,1-4H3
InChIKey
LOFQPGJUYHMGIO-UHFFFAOYSA-N
Compound name
tert-butyl 4-methoxy-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

188.10486 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.112136 140.9
[M+Na]+ 211.094078 147.7
[M-H]- 187.097584 141.3
[M+NH4]+ 206.138683 160.9
[M+K]+ 227.068018 148.7
[M+H-H2O]+ 171.102120 136.6
[M+HCOO]- 233.103061 161.7
[M+CH3COO]- 247.118711 183.0
[M+Na-2H]- 209.079526 145.0
[M]+ 188.10431142 146.0
[M]- 188.10540858 146.0
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