CID 80183

2,6-dimethyl-5-hepten-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

153
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 141.0
[M-H]- 141.12849 133.6
[M+NH4]+ 160.16959 156.0
[M+K]+ 181.09893 139.8
[M+H-H2O]+ 125.13303 131.0
[M+HCOO]- 187.13397 154.0
[M+CH3COO]- 201.14962 175.1
[M+Na-2H]- 163.11044 139.2
[M]+ 142.13522 134.8
[M]- 142.13632 134.8
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