CID 365029

Nsc631964

Structural Information

Molecular Formula
C20H28O3
SMILES
CCCCCCCCCCCC1=CC(=O)C2=C(C=CC=C2O1)O
InChI
InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-12-16-15-18(22)20-17(21)13-11-14-19(20)23-16/h11,13-15,21H,2-10,12H2,1H3
InChIKey
CQTVVLLURKBIKT-UHFFFAOYSA-N
Compound name
5-hydroxy-2-undecylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.20386 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 178.3
[M+Na]+ 339.19308 184.9
[M-H]- 315.19658 181.4
[M+NH4]+ 334.23768 192.4
[M+K]+ 355.16702 180.8
[M+H-H2O]+ 299.20112 170.8
[M+HCOO]- 361.20206 197.4
[M+CH3COO]- 375.21771 208.1
[M+Na-2H]- 337.17853 182.0
[M]+ 316.20331 184.4
[M]- 316.20441 184.4
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.