CID 14860746

Tert-butyl4,4,4-trimethoxybutanoate

Structural Information

Molecular Formula
C11H22O5
SMILES
CC(C)(C)OC(=O)CCC(OC)(OC)OC
InChI
InChI=1S/C11H22O5/c1-10(2,3)16-9(12)7-8-11(13-4,14-5)15-6/h7-8H2,1-6H3
InChIKey
UIJYAWWITTWOBN-UHFFFAOYSA-N
Compound name
tert-butyl 4,4,4-trimethoxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.14673 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15401 153.9
[M+Na]+ 257.13595 160.0
[M-H]- 233.13945 154.1
[M+NH4]+ 252.18055 172.2
[M+K]+ 273.10989 161.8
[M+H-H2O]+ 217.14399 149.4
[M+HCOO]- 279.14493 173.5
[M+CH3COO]- 293.16058 191.6
[M+Na-2H]- 255.12140 159.3
[M]+ 234.14618 162.0
[M]- 234.14728 162.0
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

No patent data available for this compound.