CID 14462

2,2,3,4-tetramethylpentane

Structural Information

Molecular Formula
C9H20
SMILES
CC(C)C(C)C(C)(C)C
InChI
InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3
InChIKey
VZFMYOCAEQDWDY-UHFFFAOYSA-N
Compound name
2,2,3,4-tetramethylpentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

758
Patents

128.1565 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.163776 131.3
[M+Na]+ 151.145718 137.5
[M-H]- 127.149224 131.8
[M+NH4]+ 146.190323 154.0
[M+K]+ 167.119658 138.0
[M+H-H2O]+ 111.153760 127.7
[M+HCOO]- 173.154701 150.7
[M+CH3COO]- 187.170351 177.8
[M+Na-2H]- 149.131166 135.2
[M]+ 128.15595142 132.0
[M]- 128.15704858 132.0
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