CID 41838

2,5-dimethyltridecane

Structural Information

Molecular Formula
C15H32
SMILES
CCCCCCCCC(C)CCC(C)C
InChI
InChI=1S/C15H32/c1-5-6-7-8-9-10-11-15(4)13-12-14(2)3/h14-15H,5-13H2,1-4H3
InChIKey
WHEITGBIIYGVLM-UHFFFAOYSA-N
Compound name
2,5-dimethyltridecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

17
Patents

212.2504 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.25768 161.1
[M+Na]+ 235.23962 164.2
[M-H]- 211.24312 160.0
[M+NH4]+ 230.28422 180.2
[M+K]+ 251.21356 162.6
[M+H-H2O]+ 195.24766 155.4
[M+HCOO]- 257.24860 179.9
[M+CH3COO]- 271.26425 196.3
[M+Na-2H]- 233.22507 160.8
[M]+ 212.24985 164.5
[M]- 212.25095 164.5
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