CID 388312

Nsc683044

Structural Information

Molecular Formula
C17H30O4
SMILES
C=CCCCCCCCCCOC1C=CC(C(O1)CO)O
InChI
InChI=1S/C17H30O4/c1-2-3-4-5-6-7-8-9-10-13-20-17-12-11-15(19)16(14-18)21-17/h2,11-12,15-19H,1,3-10,13-14H2
InChIKey
OTXHPQLYQFMHGX-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-undec-10-enoxy-3,6-dihydro-2H-pyran-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.21442 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.22170 175.5
[M+Na]+ 321.20364 178.5
[M-H]- 297.20714 175.2
[M+NH4]+ 316.24824 188.1
[M+K]+ 337.17758 175.7
[M+H-H2O]+ 281.21168 168.5
[M+HCOO]- 343.21262 191.5
[M+CH3COO]- 357.22827 200.7
[M+Na-2H]- 319.18909 176.1
[M]+ 298.21387 178.2
[M]- 298.21497 178.2
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.