CID 14067219

2-methoxybut-3-enoic acid

Structural Information

Molecular Formula
C5H8O3
SMILES
COC(C=C)C(=O)O
InChI
InChI=1S/C5H8O3/c1-3-4(8-2)5(6)7/h3-4H,1H2,2H3,(H,6,7)
InChIKey
OYVQYVPEQYANHS-UHFFFAOYSA-N
Compound name
2-methoxybut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

116.04734 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05462 122.4
[M+Na]+ 139.03656 131.6
[M+NH4]+ 134.08116 129.0
[M+K]+ 155.01050 128.2
[M-H]- 115.04006 120.0
[M+Na-2H]- 137.02201 124.8
[M]+ 116.04679 122.6
[M]- 116.04789 122.6
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

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