CID 7577884

(z)-2-methoxybut-2-enoic acid

Structural Information

Molecular Formula
C5H8O3
SMILES
C/C=C(/C(=O)O)\OC
InChI
InChI=1S/C5H8O3/c1-3-4(8-2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-
InChIKey
NVPNCVRJVRLJMU-ARJAWSKDSA-N
Compound name
(Z)-2-methoxybut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

116.04734 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05462 121.4
[M+Na]+ 139.03656 128.8
[M-H]- 115.04006 120.6
[M+NH4]+ 134.08116 143.3
[M+K]+ 155.01050 129.0
[M+H-H2O]+ 99.044600 117.4
[M+HCOO]- 161.04554 143.2
[M+CH3COO]- 175.06119 166.6
[M+Na-2H]- 137.02201 126.0
[M]+ 116.04679 121.9
[M]- 116.04789 121.9
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