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

9
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

literature stripe

Patent stripe

patents stripe