CID 71326916

2,7-nonadien-4-ol, 4,8-dimethyl-

Structural Information

Molecular Formula
C11H20O
SMILES
CC=CC(C)(CCC=C(C)C)O
InChI
InChI=1S/C11H20O/c1-5-8-11(4,12)9-6-7-10(2)3/h5,7-8,12H,6,9H2,1-4H3
InChIKey
QRNQFKQHNYFBCC-UHFFFAOYSA-N
Compound name
4,8-dimethylnona-2,7-dien-4-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

101
Patents

168.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 142.5
[M+Na]+ 191.140628 148.3
[M-H]- 167.144134 141.1
[M+NH4]+ 186.185233 162.8
[M+K]+ 207.114568 146.0
[M+H-H2O]+ 151.148670 138.6
[M+HCOO]- 213.149611 161.4
[M+CH3COO]- 227.165261 179.5
[M+Na-2H]- 189.126076 146.0
[M]+ 168.15086142 142.6
[M]- 168.15195858 142.6
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