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

154
Patents

308.05322 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.060496 162.1
[M+Na]+ 331.042438 167.9
[M-H]- 307.045944 162.9
[M+NH4]+ 326.087043 174.8
[M+K]+ 347.016378 167.1
[M+H-H2O]+ 291.050480 155.6
[M+HCOO]- 353.051421 180.6
[M+CH3COO]- 367.067071 199.0
[M+Na-2H]- 329.027886 161.1
[M]+ 308.05267142 166.2
[M]- 308.05376858 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