CID 80183

2,6-dimethylhept-5-en-2-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC(=CCCC(C)(C)O)C
InChI
InChI=1S/C9H18O/c1-8(2)6-5-7-9(3,4)10/h6,10H,5,7H2,1-4H3
InChIKey
URIIVOSFQJXLPT-UHFFFAOYSA-N
Compound name
2,6-dimethylhept-5-en-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

141
Patents

142.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 134.7
[M+Na]+ 165.12499 144.2
[M+NH4]+ 160.16959 142.2
[M+K]+ 181.09893 139.3
[M-H]- 141.12849 133.2
[M+Na-2H]- 163.11044 137.5
[M]+ 142.13522 135.5
[M]- 142.13632 135.5
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