CID 162418

4,8-dimethylnon-7-en-2-ol

Structural Information

Molecular Formula
C11H22O
SMILES
CC(CCC=C(C)C)CC(C)O
InChI
InChI=1S/C11H22O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,10-12H,5,7-8H2,1-4H3
InChIKey
CUIWFRIESJGBPX-UHFFFAOYSA-N
Compound name
4,8-dimethylnon-7-en-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

80
Patents

170.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 145.2
[M+Na]+ 193.156288 149.7
[M-H]- 169.159794 143.5
[M+NH4]+ 188.200893 165.1
[M+K]+ 209.130228 148.5
[M+H-H2O]+ 153.164330 140.5
[M+HCOO]- 215.165271 163.3
[M+CH3COO]- 229.180921 182.6
[M+Na-2H]- 191.141736 145.3
[M]+ 170.16652142 145.1
[M]- 170.16761858 145.1
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