CID 23531

Octane, 2,3-dimethyl-

Structural Information

Molecular Formula
C10H22
SMILES
CCCCCC(C)C(C)C
InChI
InChI=1S/C10H22/c1-5-6-7-8-10(4)9(2)3/h9-10H,5-8H2,1-4H3
InChIKey
YPMNDMUOGQJCLW-UHFFFAOYSA-N
Compound name
2,3-dimethyloctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1371
Patents

142.17215 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.179426 137.7
[M+Na]+ 165.161368 142.8
[M-H]- 141.164874 137.5
[M+NH4]+ 160.205973 159.6
[M+K]+ 181.135308 142.6
[M+H-H2O]+ 125.169410 133.0
[M+HCOO]- 187.170351 158.2
[M+CH3COO]- 201.186001 181.2
[M+Na-2H]- 163.146816 140.2
[M]+ 142.17160142 139.2
[M]- 142.17269858 139.2
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