CID 156377

4,8-dimethyldecanal

Structural Information

Molecular Formula
C12H24O
SMILES
CCC(C)CCCC(C)CCC=O
InChI
InChI=1S/C12H24O/c1-4-11(2)7-5-8-12(3)9-6-10-13/h10-12H,4-9H2,1-3H3
InChIKey
XAUQKOJHYTYNRM-UHFFFAOYSA-N
Compound name
4,8-dimethyldecanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

159
Patents

184.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.189986 148.7
[M+Na]+ 207.171928 153.4
[M-H]- 183.175434 148.2
[M+NH4]+ 202.216533 168.8
[M+K]+ 223.145868 152.4
[M+H-H2O]+ 167.179970 143.5
[M+HCOO]- 229.180911 169.0
[M+CH3COO]- 243.196561 188.2
[M+Na-2H]- 205.157376 150.1
[M]+ 184.18216142 151.8
[M]- 184.18325858 151.8
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