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
6
Annotation Hits

509
References

154883
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

literature stripe

Patent stripe

patents stripe