CID 13455174

Methyl 4,4,4-trimethoxybutanoate

Structural Information

Molecular Formula
C8H16O5
SMILES
COC(=O)CCC(OC)(OC)OC
InChI
InChI=1S/C8H16O5/c1-10-7(9)5-6-8(11-2,12-3)13-4/h5-6H2,1-4H3
InChIKey
OPRCDLSRPWDNOP-UHFFFAOYSA-N
Compound name
methyl 4,4,4-trimethoxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.09978 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10706 140.7
[M+Na]+ 215.08900 147.6
[M-H]- 191.09250 141.0
[M+NH4]+ 210.13360 160.5
[M+K]+ 231.06294 149.5
[M+H-H2O]+ 175.09704 136.0
[M+HCOO]- 237.09798 162.8
[M+CH3COO]- 251.11363 182.8
[M+Na-2H]- 213.07445 146.6
[M]+ 192.09923 148.3
[M]- 192.10033 148.3
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.