CID 365031

Nsc631966

Structural Information

Molecular Formula
C18H26O3
SMILES
CCCCCCCCCC1CC(=O)C2=C(C=CC=C2O1)O
InChI
InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-10-14-13-16(20)18-15(19)11-9-12-17(18)21-14/h9,11-12,14,19H,2-8,10,13H2,1H3
InChIKey
FQQQPUQXIXHMRM-UHFFFAOYSA-N
Compound name
5-hydroxy-2-nonyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1882 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19548 171.0
[M+Na]+ 313.17742 176.5
[M-H]- 289.18092 173.7
[M+NH4]+ 308.22202 186.0
[M+K]+ 329.15136 173.2
[M+H-H2O]+ 273.18546 164.0
[M+HCOO]- 335.18640 187.8
[M+CH3COO]- 349.20205 202.8
[M+Na-2H]- 311.16287 173.9
[M]+ 290.18765 173.5
[M]- 290.18875 173.5
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.