CID 5355095

Trans-3-(4-methoxybenzoyl)acrylic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C(=O)O
InChI
InChI=1S/C11H10O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+
InChIKey
WORYXBDHTBWLLL-VOTSOKGWSA-N
Compound name
(E)-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

307
Patents

206.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 142.0
[M+Na]+ 229.04712 149.3
[M-H]- 205.05062 144.4
[M+NH4]+ 224.09172 160.1
[M+K]+ 245.02106 147.3
[M+H-H2O]+ 189.05516 136.2
[M+HCOO]- 251.05610 163.9
[M+CH3COO]- 265.07175 182.5
[M+Na-2H]- 227.03257 145.6
[M]+ 206.05735 143.5
[M]- 206.05845 143.5
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