CID 350846

Methyl 4,4-dimethoxybutanoate

Structural Information

Molecular Formula
C7H14O4
SMILES
COC(CCC(=O)OC)OC
InChI
InChI=1S/C7H14O4/c1-9-6(8)4-5-7(10-2)11-3/h7H,4-5H2,1-3H3
InChIKey
MMRXJPOAPCEDLP-UHFFFAOYSA-N
Compound name
methyl 4,4-dimethoxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

162.0892 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09648 134.2
[M+Na]+ 185.07842 140.9
[M-H]- 161.08192 134.5
[M+NH4]+ 180.12302 155.0
[M+K]+ 201.05236 142.6
[M+H-H2O]+ 145.08646 129.3
[M+HCOO]- 207.08740 156.9
[M+CH3COO]- 221.10305 178.3
[M+Na-2H]- 183.06387 138.3
[M]+ 162.08865 139.7
[M]- 162.08975 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe