CID 5363655

2,4-dimethylhepta-2,6-dien-1-ol

Structural Information

Molecular Formula
C9H16O
SMILES
CC(CC=C)/C=C(\C)/CO
InChI
InChI=1S/C9H16O/c1-4-5-8(2)6-9(3)7-10/h4,6,8,10H,1,5,7H2,2-3H3/b9-6+
InChIKey
YBRHBMHQQIEOOL-RMKNXTFCSA-N
Compound name
(2E)-2,4-dimethylhepta-2,6-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

140.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 134.1
[M+Na]+ 163.10934 139.9
[M-H]- 139.11284 132.7
[M+NH4]+ 158.15394 155.2
[M+K]+ 179.08328 138.2
[M+H-H2O]+ 123.11738 129.8
[M+HCOO]- 185.11832 154.1
[M+CH3COO]- 199.13397 174.7
[M+Na-2H]- 161.09479 136.6
[M]+ 140.11957 133.2
[M]- 140.12067 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe