CID 100845

4,8-dimethyl-7-nonenal

Structural Information

Molecular Formula
C11H20O
SMILES
CC(CCC=C(C)C)CCC=O
InChI
InChI=1S/C11H20O/c1-10(2)6-4-7-11(3)8-5-9-12/h6,9,11H,4-5,7-8H2,1-3H3
InChIKey
JYZBGRBGMXAFMK-UHFFFAOYSA-N
Compound name
4,8-dimethylnon-7-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

168.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 142.4
[M+Na]+ 191.14063 147.9
[M-H]- 167.14413 142.2
[M+NH4]+ 186.18523 163.1
[M+K]+ 207.11457 146.6
[M+H-H2O]+ 151.14867 137.6
[M+HCOO]- 213.14961 163.3
[M+CH3COO]- 227.16526 183.5
[M+Na-2H]- 189.12608 144.5
[M]+ 168.15086 144.3
[M]- 168.15196 144.3
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