CID 92239

3-methyldecane

Structural Information

Molecular Formula
C11H24
SMILES
CCCCCCCC(C)CC
InChI
InChI=1S/C11H24/c1-4-6-7-8-9-10-11(3)5-2/h11H,4-10H2,1-3H3
InChIKey
JJRUZTXRDDMYGM-UHFFFAOYSA-N
Compound name
3-methyldecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

771
Patents

156.1878 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.19508 140.5
[M+Na]+ 179.17702 150.8
[M+NH4]+ 174.22162 149.0
[M+K]+ 195.15096 143.4
[M-H]- 155.18052 140.9
[M+Na-2H]- 177.16247 144.1
[M]+ 156.18725 142.0
[M]- 156.18835 142.0
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