CID 20745

6-methyl-5-hepten-2-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CC(CCC=C(C)C)O
InChI
InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3
InChIKey
OHEFFKYYKJVVOX-UHFFFAOYSA-N
Compound name
6-methylhept-5-en-2-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

27
References

6056
Patents

128.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 131.1
[M+Na]+ 151.109338 137.1
[M-H]- 127.112844 129.9
[M+NH4]+ 146.153943 152.8
[M+K]+ 167.083278 136.2
[M+H-H2O]+ 111.117380 127.0
[M+HCOO]- 173.118321 151.2
[M+CH3COO]- 187.133971 172.6
[M+Na-2H]- 149.094786 134.1
[M]+ 128.11957142 130.6
[M]- 128.12066858 130.6
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