CID 85830

3,7-dimethyloctan-2-ol

Structural Information

Molecular Formula
C10H22O
SMILES
CC(C)CCCC(C)C(C)O
InChI
InChI=1S/C10H22O/c1-8(2)6-5-7-9(3)10(4)11/h8-11H,5-7H2,1-4H3
InChIKey
XCWMPEYBKUYTLZ-UHFFFAOYSA-N
Compound name
3,7-dimethyloctan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

158.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.17435 140.3
[M+Na]+ 181.15629 149.0
[M+NH4]+ 176.20089 147.8
[M+K]+ 197.13023 144.4
[M-H]- 157.15979 139.2
[M+Na-2H]- 179.14174 142.2
[M]+ 158.16652 141.0
[M]- 158.16762 141.0
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