CID 28026

3-ethyl-2,2-dimethylpentane

Structural Information

Molecular Formula
C9H20
SMILES
CCC(CC)C(C)(C)C
InChI
InChI=1S/C9H20/c1-6-8(7-2)9(3,4)5/h8H,6-7H2,1-5H3
InChIKey
CLZCPQKGOAXOJT-UHFFFAOYSA-N
Compound name
3-ethyl-2,2-dimethylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

640
Patents

128.1565 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.16378 131.8
[M+Na]+ 151.14572 138.3
[M-H]- 127.14922 132.3
[M+NH4]+ 146.19032 154.6
[M+K]+ 167.11966 138.3
[M+H-H2O]+ 111.15376 128.1
[M+HCOO]- 173.15470 152.2
[M+CH3COO]- 187.17035 177.0
[M+Na-2H]- 149.13117 136.9
[M]+ 128.15595 133.2
[M]- 128.15705 133.2
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