CID 86750

4,6-octadien-3-ol, 3,7-dimethyl-

Structural Information

Molecular Formula
C10H18O
SMILES
CCC(C)(C=CC=C(C)C)O
InChI
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h6-8,11H,5H2,1-4H3
InChIKey
QLRNLHNEZFMRSR-UHFFFAOYSA-N
Compound name
3,7-dimethylocta-4,6-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1254
Patents

154.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 137.9
[M+Na]+ 177.12499 144.1
[M-H]- 153.12849 136.7
[M+NH4]+ 172.16959 158.7
[M+K]+ 193.09893 142.1
[M+H-H2O]+ 137.13303 134.1
[M+HCOO]- 199.13397 157.1
[M+CH3COO]- 213.14962 176.5
[M+Na-2H]- 175.11044 141.9
[M]+ 154.13522 137.6
[M]- 154.13632 137.6
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