CID 121687

2,6-dimethyloct-6-en-2-ol

Structural Information

Molecular Formula
C10H20O
SMILES
CC=C(C)CCCC(C)(C)O
InChI
InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,11H,6-8H2,1-4H3
InChIKey
CWMHVHGNKIXPOD-UHFFFAOYSA-N
Compound name
2,6-dimethyloct-6-en-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

48
Patents

156.15141 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.15869 139.2
[M+Na]+ 179.14063 148.4
[M+NH4]+ 174.18523 146.4
[M+K]+ 195.11457 143.2
[M-H]- 155.14413 137.6
[M+Na-2H]- 177.12608 141.7
[M]+ 156.15086 139.9
[M]- 156.15196 139.9
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