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
4
Annotation Hits

1
References

2220
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 130.9
[M+Na]+ 151.14572 138.2
[M-H]- 127.14922 131.7
[M+NH4]+ 146.19032 154.0
[M+K]+ 167.11966 138.2
[M+H-H2O]+ 111.15376 127.9
[M+HCOO]- 173.15470 150.8
[M+CH3COO]- 187.17035 176.0
[M+Na-2H]- 149.13117 138.0
[M]+ 128.15595 132.4
[M]- 128.15705 132.4
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