CID 92209

2-methoxypropanoic acid

Structural Information

Molecular Formula
C4H8O3
SMILES
CC(C(=O)O)OC
InChI
InChI=1S/C4H8O3/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKey
ICPWFHKNYYRBSZ-UHFFFAOYSA-N
Compound name
2-methoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

2848
Patents

104.04734 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.05462 118.6
[M+Na]+ 127.03656 127.9
[M+NH4]+ 122.08116 125.7
[M+K]+ 143.01050 124.9
[M-H]- 103.04006 116.5
[M+Na-2H]- 125.02201 121.4
[M]+ 104.04679 118.9
[M]- 104.04789 118.9
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