CID 15000781

Methyl 2-(dimethoxymethyl)-3-methylbutanoate

Structural Information

Molecular Formula
C9H18O4
SMILES
CC(C)C(C(OC)OC)C(=O)OC
InChI
InChI=1S/C9H18O4/c1-6(2)7(8(10)11-3)9(12-4)13-5/h6-7,9H,1-5H3
InChIKey
JNTNTHFLACAYFA-UHFFFAOYSA-N
Compound name
methyl 2-(dimethoxymethyl)-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.12051 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.127786 143.5
[M+Na]+ 213.109728 148.9
[M-H]- 189.113234 143.6
[M+NH4]+ 208.154333 163.1
[M+K]+ 229.083668 151.1
[M+H-H2O]+ 173.117770 138.4
[M+HCOO]- 235.118711 163.6
[M+CH3COO]- 249.134361 186.1
[M+Na-2H]- 211.095176 144.1
[M]+ 190.11996142 148.4
[M]- 190.12105858 148.4
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.