CID 28029

2,2,4,5-tetramethylhexane

Structural Information

Molecular Formula
C10H22
SMILES
CC(C)C(C)CC(C)(C)C
InChI
InChI=1S/C10H22/c1-8(2)9(3)7-10(4,5)6/h8-9H,7H2,1-6H3
InChIKey
KDRZICOOQNIJDN-UHFFFAOYSA-N
Compound name
2,2,4,5-tetramethylhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

142.17215 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.179426 136.1
[M+Na]+ 165.161368 141.9
[M-H]- 141.164874 136.4
[M+NH4]+ 160.205973 158.3
[M+K]+ 181.135308 142.1
[M+H-H2O]+ 125.169410 132.3
[M+HCOO]- 187.170351 155.2
[M+CH3COO]- 201.186001 180.9
[M+Na-2H]- 163.146816 139.4
[M]+ 142.17160142 137.1
[M]- 142.17269858 137.1
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