CID 71424251

920299-02-1

Structural Information

Molecular Formula
C22H34O3
SMILES
CCCCCCCCCCCCCC1CC2=C(C(=CC=C2)O)C(=O)O1
InChI
InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-17-18-14-13-16-20(23)21(18)22(24)25-19/h13-14,16,19,23H,2-12,15,17H2,1H3
InChIKey
GEFWCROCDVGECH-UHFFFAOYSA-N
Compound name
8-hydroxy-3-tridecyl-3,4-dihydroisochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

346.2508 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.25808 188.8
[M+Na]+ 369.24002 199.8
[M+NH4]+ 364.28462 195.6
[M+K]+ 385.21396 191.1
[M-H]- 345.24352 191.7
[M+Na-2H]- 367.22547 190.6
[M]+ 346.25025 191.1
[M]- 346.25135 191.1
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