CID 22886662

4-(((4-(acryloyloxy)butoxy)carbonyl)oxy)benzoic acid

Structural Information

Molecular Formula
C15H16O7
SMILES
C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C15H16O7/c1-2-13(16)20-9-3-4-10-21-15(19)22-12-7-5-11(6-8-12)14(17)18/h2,5-8H,1,3-4,9-10H2,(H,17,18)
InChIKey
UZGCTULFQVGVNS-UHFFFAOYSA-N
Compound name
4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

308.0896 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09688 167.1
[M+Na]+ 331.07882 172.3
[M-H]- 307.08232 168.8
[M+NH4]+ 326.12342 180.6
[M+K]+ 347.05276 171.3
[M+H-H2O]+ 291.08686 159.9
[M+HCOO]- 353.08780 187.5
[M+CH3COO]- 367.10345 199.8
[M+Na-2H]- 329.06427 167.7
[M]+ 308.08905 172.9
[M]- 308.09015 172.9
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