CID 388311

Nsc683043

Structural Information

Molecular Formula
C12H20O4
SMILES
C=CCCCCOC1C=CC(C(O1)CO)O
InChI
InChI=1S/C12H20O4/c1-2-3-4-5-8-15-12-7-6-10(14)11(9-13)16-12/h2,6-7,10-14H,1,3-5,8-9H2
InChIKey
XXCCPRNUMYAJDL-UHFFFAOYSA-N
Compound name
6-hex-5-enoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.13615 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14343 152.8
[M+Na]+ 251.12537 158.0
[M-H]- 227.12887 153.5
[M+NH4]+ 246.16997 168.4
[M+K]+ 267.09931 156.4
[M+H-H2O]+ 211.13341 146.8
[M+HCOO]- 273.13435 170.5
[M+CH3COO]- 287.15000 185.6
[M+Na-2H]- 249.11082 156.1
[M]+ 228.13560 153.7
[M]- 228.13670 153.7
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.