CID 545627

4,6-dimethyldodecane

Structural Information

Molecular Formula
C14H30
SMILES
CCCCCCC(C)CC(C)CCC
InChI
InChI=1S/C14H30/c1-5-7-8-9-11-14(4)12-13(3)10-6-2/h13-14H,5-12H2,1-4H3
InChIKey
FNUQJWPIADDMRS-UHFFFAOYSA-N
Compound name
4,6-dimethyldodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

198.23476 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.24204 156.4
[M+Na]+ 221.22398 159.9
[M-H]- 197.22748 155.5
[M+NH4]+ 216.26858 176.1
[M+K]+ 237.19792 158.6
[M+H-H2O]+ 181.23202 151.0
[M+HCOO]- 243.23296 175.6
[M+CH3COO]- 257.24861 193.3
[M+Na-2H]- 219.20943 156.7
[M]+ 198.23421 159.5
[M]- 198.23531 159.5
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