CID 41837

2,5-dimethyldodecane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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 154.2
[M+Na]+ 221.22398 163.6
[M+NH4]+ 216.26858 162.1
[M+K]+ 237.19792 156.3
[M-H]- 197.22748 154.3
[M+Na-2H]- 219.20943 156.6
[M]+ 198.23421 155.5
[M]- 198.23531 155.5
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

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