CID 137658

2,4,6-trimethylheptane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

554
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 136.8
[M+Na]+ 165.16137 146.6
[M+NH4]+ 160.20597 145.2
[M+K]+ 181.13531 141.1
[M-H]- 141.16487 136.8
[M+Na-2H]- 163.14682 139.9
[M]+ 142.17160 138.1
[M]- 142.17270 138.1
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