CID 14278202

5,9-dimethylpentadecane

Structural Information

Molecular Formula
C17H36
SMILES
CCCCCCC(C)CCCC(C)CCCC
InChI
InChI=1S/C17H36/c1-5-7-9-10-13-17(4)15-11-14-16(3)12-8-6-2/h16-17H,5-15H2,1-4H3
InChIKey
XTTUZCLEOCTJKO-UHFFFAOYSA-N
Compound name
5,9-dimethylpentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

80
Patents

240.28171 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.28899 170.3
[M+Na]+ 263.27093 172.6
[M-H]- 239.27443 168.8
[M+NH4]+ 258.31553 188.3
[M+K]+ 279.24487 170.4
[M+H-H2O]+ 223.27897 164.2
[M+HCOO]- 285.27991 188.5
[M+CH3COO]- 299.29556 202.2
[M+Na-2H]- 261.25638 169.0
[M]+ 240.28116 174.5
[M]- 240.28226 174.5
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