CID 14067

2,2,5,5-tetramethylhexane

Structural Information

Molecular Formula
C10H22
SMILES
CC(C)(C)CCC(C)(C)C
InChI
InChI=1S/C10H22/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3
InChIKey
HXQDUXXBVMMIKL-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethylhexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1416
Patents

142.17215 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.17943 136.9
[M+Na]+ 165.16137 147.2
[M+NH4]+ 160.20597 145.4
[M+K]+ 181.13531 141.7
[M-H]- 141.16487 136.3
[M+Na-2H]- 163.14682 140.9
[M]+ 142.17160 138.3
[M]- 142.17270 138.3
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