CID 537332

5-ethyl-2-methyloctane

Structural Information

Molecular Formula
C11H24
SMILES
CCCC(CC)CCC(C)C
InChI
InChI=1S/C11H24/c1-5-7-11(6-2)9-8-10(3)4/h10-11H,5-9H2,1-4H3
InChIKey
CQCKNPUKBOITAX-UHFFFAOYSA-N
Compound name
5-ethyl-2-methyloctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

156.1878 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.19508 142.4
[M+Na]+ 179.17702 147.1
[M-H]- 155.18052 142.1
[M+NH4]+ 174.22162 163.7
[M+K]+ 195.15096 146.6
[M+H-H2O]+ 139.18506 137.5
[M+HCOO]- 201.18600 162.6
[M+CH3COO]- 215.20165 184.2
[M+Na-2H]- 177.16247 144.4
[M]+ 156.18725 144.3
[M]- 156.18835 144.3
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