CID 158455

1-(2-acryloyloxyethyl) trimellitate

Structural Information

Molecular Formula
C14H12O8
SMILES
C=CC(=O)OCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)O
InChI
InChI=1S/C14H12O8/c1-2-11(15)21-5-6-22-14(20)9-4-3-8(12(16)17)7-10(9)13(18)19/h2-4,7H,1,5-6H2,(H,16,17)(H,18,19)
InChIKey
JSIGTVCYQSGTFG-UHFFFAOYSA-N
Compound name
4-(2-prop-2-enoyloxyethoxycarbonyl)benzene-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

53
Patents

308.05322 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06050 162.1
[M+Na]+ 331.04244 167.9
[M-H]- 307.04594 162.9
[M+NH4]+ 326.08704 174.8
[M+K]+ 347.01638 167.1
[M+H-H2O]+ 291.05048 155.6
[M+HCOO]- 353.05142 180.6
[M+CH3COO]- 367.06707 199.0
[M+Na-2H]- 329.02789 161.1
[M]+ 308.05267 166.2
[M]- 308.05377 166.2
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