CID 14753148

2,4-dimethylhexan-1-ol

Structural Information

Molecular Formula
C8H18O
SMILES
CCC(C)CC(C)CO
InChI
InChI=1S/C8H18O/c1-4-7(2)5-8(3)6-9/h7-9H,4-6H2,1-3H3
InChIKey
GDRBQWCGBCJTLB-UHFFFAOYSA-N
Compound name
2,4-dimethylhexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

130.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.14305 131.1
[M+Na]+ 153.12499 140.6
[M+NH4]+ 148.16959 139.0
[M+K]+ 169.09893 135.6
[M-H]- 129.12849 130.3
[M+Na-2H]- 151.11044 134.0
[M]+ 130.13522 132.0
[M]- 130.13632 132.0
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