CID 209136

19300-65-3

Structural Information

Molecular Formula
C19H18O5
SMILES
C1C(CO1)(COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H18O5/c20-17(15-7-3-1-4-8-15)23-13-19(11-22-12-19)14-24-18(21)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
AFCXVIMWALUMQB-UHFFFAOYSA-N
Compound name
[3-(benzoyloxymethyl)oxetan-3-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.11542 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.122696 172.3
[M+Na]+ 349.104638 175.7
[M-H]- 325.108144 181.6
[M+NH4]+ 344.149243 179.4
[M+K]+ 365.078578 178.2
[M+H-H2O]+ 309.112680 158.7
[M+HCOO]- 371.113621 191.6
[M+CH3COO]- 385.129271 206.6
[M+Na-2H]- 347.090086 176.8
[M]+ 326.11487142 183.8
[M]- 326.11596858 183.8
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

No patent data available for this compound.