CID 117325

4-methyltridecane

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

273
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 156.0
[M+Na]+ 221.22398 159.7
[M-H]- 197.22748 155.0
[M+NH4]+ 216.26858 175.7
[M+K]+ 237.19792 158.0
[M+H-H2O]+ 181.23202 150.4
[M+HCOO]- 243.23296 176.2
[M+CH3COO]- 257.24861 192.5
[M+Na-2H]- 219.20943 157.6
[M]+ 198.23421 159.7
[M]- 198.23531 159.7
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