CID 78849

3,3,4,4-tetramethylhexane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
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 135.3
[M+Na]+ 165.16137 142.0
[M-H]- 141.16487 135.8
[M+NH4]+ 160.20597 157.7
[M+K]+ 181.13531 141.7
[M+H-H2O]+ 125.16941 132.0
[M+HCOO]- 187.17035 154.8
[M+CH3COO]- 201.18600 180.4
[M+Na-2H]- 163.14682 141.9
[M]+ 142.17160 137.3
[M]- 142.17270 137.3
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