CID 520949

1,2-nonadecanediol

Structural Information

Molecular Formula
C19H40O2
SMILES
CCCCCCCCCCCCCCCCCC(CO)O
InChI
InChI=1S/C19H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20/h19-21H,2-18H2,1H3
InChIKey
OFLPOBPCVHNRMF-UHFFFAOYSA-N
Compound name
nonadecane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

300.30283 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.31011 185.7
[M+Na]+ 323.29205 186.4
[M-H]- 299.29555 180.7
[M+NH4]+ 318.33665 199.6
[M+K]+ 339.26599 182.3
[M+H-H2O]+ 283.30009 179.1
[M+HCOO]- 345.30103 201.6
[M+CH3COO]- 359.31668 205.7
[M+Na-2H]- 321.27750 183.5
[M]+ 300.30228 190.3
[M]- 300.30338 190.3
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