CID 3018310

2-(2,3,4-trimethoxyphenyl)propanoic acid

Structural Information

Molecular Formula
C12H16O5
SMILES
CC(C1=C(C(=C(C=C1)OC)OC)OC)C(=O)O
InChI
InChI=1S/C12H16O5/c1-7(12(13)14)8-5-6-9(15-2)11(17-4)10(8)16-3/h5-7H,1-4H3,(H,13,14)
InChIKey
YAURVMGBGYEPTE-UHFFFAOYSA-N
Compound name
2-(2,3,4-trimethoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

240.09978 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.107056 150.3
[M+Na]+ 263.088998 158.2
[M-H]- 239.092504 153.1
[M+NH4]+ 258.133603 167.6
[M+K]+ 279.062938 158.0
[M+H-H2O]+ 223.097040 144.4
[M+HCOO]- 285.097981 171.6
[M+CH3COO]- 299.113631 192.5
[M+Na-2H]- 261.074446 152.1
[M]+ 240.09923142 155.9
[M]- 240.10032858 155.9
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