CID 106661

Monomethacryloxyisopropyl phthalate

Structural Information

Molecular Formula
C15H16O6
SMILES
CC(COC(=O)C(=C)C)OC(=O)C1=CC=CC=C1C(=O)O
InChI
InChI=1S/C15H16O6/c1-9(2)14(18)20-8-10(3)21-15(19)12-7-5-4-6-11(12)13(16)17/h4-7,10H,1,8H2,2-3H3,(H,16,17)
InChIKey
HQYSAIKKBLWFBW-UHFFFAOYSA-N
Compound name
2-[1-(2-methylprop-2-enoyloxy)propan-2-yloxycarbonyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

292.0947 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10198 163.6
[M+Na]+ 315.08392 168.5
[M-H]- 291.08742 165.5
[M+NH4]+ 310.12852 177.7
[M+K]+ 331.05786 168.0
[M+H-H2O]+ 275.09196 157.1
[M+HCOO]- 337.09290 181.8
[M+CH3COO]- 351.10855 200.2
[M+Na-2H]- 313.06937 161.7
[M]+ 292.09415 166.8
[M]- 292.09525 166.8
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