CID 10907

2,2,4-trimethylpentane

Structural Information

Molecular Formula
C8H18
SMILES
CC(C)CC(C)(C)C
InChI
InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
InChIKey
NHTMVDHEPJAVLT-UHFFFAOYSA-N
Compound name
2,2,4-trimethylpentane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

509
References

152797
Patents

114.140854 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.14813 127.1
[M+Na]+ 137.13007 133.9
[M-H]- 113.13358 127.7
[M+NH4]+ 132.17468 150.4
[M+K]+ 153.10401 134.2
[M+H-H2O]+ 97.138114 123.6
[M+HCOO]- 159.13906 147.8
[M+CH3COO]- 173.15470 174.0
[M+Na-2H]- 135.11552 132.7
[M]+ 114.14031 128.0
[M]- 114.14140 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.