CID 14058

2,2,4,4-tetramethylpentane

Structural Information

Molecular Formula
C9H20
SMILES
CC(C)(C)CC(C)(C)C
InChI
InChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3
InChIKey
GUMULFRCHLJNDY-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethylpentane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1885
Patents

128.1565 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.16378 132.5
[M+Na]+ 151.14572 143.0
[M+NH4]+ 146.19032 141.1
[M+K]+ 167.11966 137.8
[M-H]- 127.14922 131.9
[M+Na-2H]- 149.13117 136.8
[M]+ 128.15595 134.0
[M]- 128.15705 134.0
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