CID 158573

83797-45-9

Structural Information

Molecular Formula
C17H34O3
SMILES
C=CCCCCCCCCCCCC(CC(CO)O)O
InChI
InChI=1S/C17H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h2,16-20H,1,3-15H2
InChIKey
DFEHQWFIOMAGBM-UHFFFAOYSA-N
Compound name
heptadec-16-ene-1,2,4-triol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

162
Patents

286.2508 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.25808 179.1
[M+Na]+ 309.24002 180.2
[M-H]- 285.24352 173.1
[M+NH4]+ 304.28462 192.6
[M+K]+ 325.21396 176.1
[M+H-H2O]+ 269.24806 173.0
[M+HCOO]- 331.24900 193.6
[M+CH3COO]- 345.26465 199.1
[M+Na-2H]- 307.22547 176.1
[M]+ 286.25025 181.1
[M]- 286.25135 181.1
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.