CID 10567452

1,2,4-nonadecanetriol

Structural Information

Molecular Formula
C19H40O3
SMILES
CCCCCCCCCCCCCCCC(CC(CO)O)O
InChI
InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20/h18-22H,2-17H2,1H3
InChIKey
BADVLZPPYIABDS-UHFFFAOYSA-N
Compound name
nonadecane-1,2,4-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

29
Patents

316.29776 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.305036 189.5
[M+Na]+ 339.286978 189.4
[M-H]- 315.290484 183.1
[M+NH4]+ 334.331583 201.9
[M+K]+ 355.260918 185.5
[M+H-H2O]+ 299.295020 182.9
[M+HCOO]- 361.295961 203.1
[M+CH3COO]- 375.311611 205.9
[M+Na-2H]- 337.272426 185.5
[M]+ 316.29721142 192.9
[M]- 316.29830858 192.9
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

patents stripe