CID 85925

4-ethyloctane

Structural Information

Molecular Formula
C10H22
SMILES
CCCCC(CC)CCC
InChI
InChI=1S/C10H22/c1-4-7-9-10(6-3)8-5-2/h10H,4-9H2,1-3H3
InChIKey
NRJUFUBKIFIKFI-UHFFFAOYSA-N
Compound name
4-ethyloctane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3256
Patents

142.17215 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.179426 137.4
[M+Na]+ 165.161368 142.8
[M-H]- 141.164874 137.2
[M+NH4]+ 160.205973 159.4
[M+K]+ 181.135308 142.2
[M+H-H2O]+ 125.169410 132.7
[M+HCOO]- 187.170351 158.9
[M+CH3COO]- 201.186001 180.4
[M+Na-2H]- 163.146816 141.3
[M]+ 142.17160142 139.6
[M]- 142.17269858 139.6
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