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]+ 191.12779 143.5
[M+Na]+ 213.10973 148.9
[M-H]- 189.11323 143.6
[M+NH4]+ 208.15433 163.1
[M+K]+ 229.08367 151.1
[M+H-H2O]+ 173.11777 138.4
[M+HCOO]- 235.11871 163.6
[M+CH3COO]- 249.13436 186.1
[M+Na-2H]- 211.09518 144.1
[M]+ 190.11996 148.4
[M]- 190.12106 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.