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
2
Annotation Hits

0
References

401
Patents

140.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 134.1
[M+Na]+ 163.109338 139.9
[M-H]- 139.112844 132.7
[M+NH4]+ 158.153943 155.2
[M+K]+ 179.083278 138.2
[M+H-H2O]+ 123.117380 129.8
[M+HCOO]- 185.118321 154.1
[M+CH3COO]- 199.133971 174.7
[M+Na-2H]- 161.094786 136.6
[M]+ 140.11957142 133.2
[M]- 140.12066858 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