CID 103021

3478-10-2

Structural Information

Molecular Formula
C19H20O6
SMILES
CC1=CC=CC=C1OCC(COC(=O)C2=CC=CC=C2OC(=O)C)O
InChI
InChI=1S/C19H20O6/c1-13-7-3-5-9-17(13)23-11-15(21)12-24-19(22)16-8-4-6-10-18(16)25-14(2)20/h3-10,15,21H,11-12H2,1-2H3
InChIKey
XWMBLLILMKLCFO-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-methylphenoxy)propyl] 2-acetyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12598 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.133256 179.3
[M+Na]+ 367.115198 184.2
[M-H]- 343.118704 184.3
[M+NH4]+ 362.159803 191.3
[M+K]+ 383.089138 182.7
[M+H-H2O]+ 327.123240 170.8
[M+HCOO]- 389.124181 199.0
[M+CH3COO]- 403.139831 208.9
[M+Na-2H]- 365.100646 179.4
[M]+ 344.12543142 184.2
[M]- 344.12652858 184.2
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

No patent data available for this compound.