CID 44149101

73240-13-8

Structural Information

Molecular Formula
C18H18O6
SMILES
CC(CCOC(=O)C1=CC=CC=C1O)OC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C18H18O6/c1-12(24-18(22)14-7-3-5-9-16(14)20)10-11-23-17(21)13-6-2-4-8-15(13)19/h2-9,12,19-20H,10-11H2,1H3
InChIKey
OMFBXHAUAOPTIE-UHFFFAOYSA-N
Compound name
3-(2-hydroxybenzoyl)oxybutyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

330.11035 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 175.0
[M+Na]+ 353.09957 179.9
[M-H]- 329.10307 178.8
[M+NH4]+ 348.14417 186.8
[M+K]+ 369.07351 177.8
[M+H-H2O]+ 313.10761 167.0
[M+HCOO]- 375.10855 193.6
[M+CH3COO]- 389.12420 203.7
[M+Na-2H]- 351.08502 175.2
[M]+ 330.10980 177.7
[M]- 330.11090 177.7
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.