CID 3069680

2,9-dimethyl-2,9-dipropyl-1,10-decanediol

Structural Information

Molecular Formula
C18H38O2
SMILES
CCCC(C)(CCCCCCC(C)(CCC)CO)CO
InChI
InChI=1S/C18H38O2/c1-5-11-17(3,15-19)13-9-7-8-10-14-18(4,16-20)12-6-2/h19-20H,5-16H2,1-4H3
InChIKey
JEFKIPKXHPCULJ-UHFFFAOYSA-N
Compound name
2,9-dimethyl-2,9-dipropyldecane-1,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

286.28717 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.29445 177.8
[M+Na]+ 309.27639 184.3
[M+NH4]+ 304.32099 182.9
[M+K]+ 325.25033 178.7
[M-H]- 285.27989 174.6
[M+Na-2H]- 307.26184 177.6
[M]+ 286.28662 177.6
[M]- 286.28772 177.6
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

patents stripe