CID 82767

Ethyl 3-methoxypropanoate

Structural Information

Molecular Formula
C6H12O3
SMILES
CCOC(=O)CCOC
InChI
InChI=1S/C6H12O3/c1-3-9-6(7)4-5-8-2/h3-5H2,1-2H3
InChIKey
IJUHLFUALMUWOM-UHFFFAOYSA-N
Compound name
ethyl 3-methoxypropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

21653
Patents

132.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.085916 126.5
[M+Na]+ 155.067858 133.9
[M-H]- 131.071364 127.0
[M+NH4]+ 150.112463 148.7
[M+K]+ 171.041798 135.0
[M+H-H2O]+ 115.075900 122.0
[M+HCOO]- 177.076841 150.3
[M+CH3COO]- 191.092491 172.4
[M+Na-2H]- 153.053306 132.5
[M]+ 132.07809142 130.8
[M]- 132.07918858 130.8
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

patents stripe