CID 86599

Methyl 2-methoxypropionate

Structural Information

Molecular Formula
C5H10O3
SMILES
CC(C(=O)OC)OC
InChI
InChI=1S/C5H10O3/c1-4(7-2)5(6)8-3/h4H,1-3H3
InChIKey
VABBJJOSOCPYIT-UHFFFAOYSA-N
Compound name
methyl 2-methoxypropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9850
Patents

118.062996 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.07027 121.9
[M+Na]+ 141.05221 129.5
[M-H]- 117.05572 122.7
[M+NH4]+ 136.09682 144.6
[M+K]+ 157.02615 131.3
[M+H-H2O]+ 101.06026 117.7
[M+HCOO]- 163.06120 145.1
[M+CH3COO]- 177.07685 170.2
[M+Na-2H]- 139.03766 127.2
[M]+ 118.06245 125.2
[M]- 118.06354 125.2
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