CID 110848

3-methyltridecane

Structural Information

Molecular Formula
C14H30
SMILES
CCCCCCCCCCC(C)CC
InChI
InChI=1S/C14H30/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h14H,4-13H2,1-3H3
InChIKey
NLHRRMKILFRDGV-UHFFFAOYSA-N
Compound name
3-methyltridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

468
Patents

198.23476 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.24204 153.8
[M+Na]+ 221.22398 163.5
[M+NH4]+ 216.26858 161.9
[M+K]+ 237.19792 155.4
[M-H]- 197.22748 154.1
[M+Na-2H]- 219.20943 156.6
[M]+ 198.23421 155.2
[M]- 198.23531 155.2
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