CID 19710

Methyl 3-methoxypropionate

Structural Information

Molecular Formula
C5H10O3
SMILES
COCCC(=O)OC
InChI
InChI=1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3
InChIKey
BDJSOPWXYLFTNW-UHFFFAOYSA-N
Compound name
methyl 3-methoxypropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

56853
Patents

118.062996 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.07027 121.8
[M+Na]+ 141.05221 129.6
[M-H]- 117.05572 122.4
[M+NH4]+ 136.09682 144.5
[M+K]+ 157.02615 131.0
[M+H-H2O]+ 101.06026 117.5
[M+HCOO]- 163.06120 145.9
[M+CH3COO]- 177.07685 169.4
[M+Na-2H]- 139.03766 128.3
[M]+ 118.06245 125.7
[M]- 118.06354 125.7
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