CID 6365872

Ethyl 4,4-dimethoxy-3-methyl-2-butenoate

Structural Information

Molecular Formula
C9H16O4
SMILES
CCOC(=O)/C=C(\C)/C(OC)OC
InChI
InChI=1S/C9H16O4/c1-5-13-8(10)6-7(2)9(11-3)12-4/h6,9H,5H2,1-4H3/b7-6+
InChIKey
MYHCWGDFZQZTQA-VOTSOKGWSA-N
Compound name
ethyl (E)-4,4-dimethoxy-3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

188.10486 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 142.4
[M+Na]+ 211.09408 150.5
[M+NH4]+ 206.13868 148.0
[M+K]+ 227.06802 147.3
[M-H]- 187.09758 139.6
[M+Na-2H]- 209.07953 143.5
[M]+ 188.10431 142.3
[M]- 188.10541 142.3
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