CID 11255

2,2,3-trimethylpentane

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

1
References

5150
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 127.6
[M+Na]+ 137.13007 138.3
[M+NH4]+ 132.17468 136.5
[M+K]+ 153.10401 132.9
[M-H]- 113.13358 127.5
[M+Na-2H]- 135.11552 131.9
[M]+ 114.14031 129.1
[M]- 114.14140 129.1
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