CID 240230

2,6-dimethyl-5-hepten-1-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC(CCC=C(C)C)CO
InChI
InChI=1S/C9H18O/c1-8(2)5-4-6-9(3)7-10/h5,9-10H,4,6-7H2,1-3H3
InChIKey
WFZFXUZFKAOTRR-UHFFFAOYSA-N
Compound name
2,6-dimethylhept-5-en-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

158
Patents

142.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 135.8
[M+Na]+ 165.12499 141.3
[M-H]- 141.12849 134.4
[M+NH4]+ 160.16959 156.9
[M+K]+ 181.09893 140.2
[M+H-H2O]+ 125.13303 131.4
[M+HCOO]- 187.13397 155.6
[M+CH3COO]- 201.14962 175.7
[M+Na-2H]- 163.11044 138.3
[M]+ 142.13522 135.7
[M]- 142.13632 135.7
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