CID 6433947

Magnesium 3-(2,4-dimethoxyphenyl)-2-butenoate

Structural Information

Molecular Formula
C12H14O4
SMILES
C/C(=C/C(=O)O)/C1=C(C=C(C=C1)OC)OC
InChI
InChI=1S/C12H14O4/c1-8(6-12(13)14)10-5-4-9(15-2)7-11(10)16-3/h4-7H,1-3H3,(H,13,14)/b8-6-
InChIKey
VNLOISSPTMDCIF-VURMDHGXSA-N
Compound name
(Z)-3-(2,4-dimethoxyphenyl)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

190
Patents

222.0892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 147.2
[M+Na]+ 245.07842 154.7
[M-H]- 221.08192 149.8
[M+NH4]+ 240.12302 165.0
[M+K]+ 261.05236 153.2
[M+H-H2O]+ 205.08646 141.4
[M+HCOO]- 267.08740 168.6
[M+CH3COO]- 281.10305 187.6
[M+Na-2H]- 243.06387 149.6
[M]+ 222.08865 150.1
[M]- 222.08975 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe