CID 102005167

Ns00117117

Structural Information

Molecular Formula
C15H18O4
SMILES
CCCC(CCOC1=CC2=C(C=C1)C=CC(=O)O2)O
InChI
InChI=1S/C15H18O4/c1-2-3-12(16)8-9-18-13-6-4-11-5-7-15(17)19-14(11)10-13/h4-7,10,12,16H,2-3,8-9H2,1H3
InChIKey
MODGDTPZSCZGEO-UHFFFAOYSA-N
Compound name
7-(3-hydroxyhexoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1205 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12778 158.3
[M+Na]+ 285.10972 165.8
[M-H]- 261.11322 162.1
[M+NH4]+ 280.15432 174.2
[M+K]+ 301.08366 163.9
[M+H-H2O]+ 245.11776 151.5
[M+HCOO]- 307.11870 178.3
[M+CH3COO]- 321.13435 194.9
[M+Na-2H]- 283.09517 164.3
[M]+ 262.11995 163.1
[M]- 262.12105 163.1
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

No patent data available for this compound.