CID 41836

2,5-dimethyltetradecane

Structural Information

Molecular Formula
C16H34
SMILES
CCCCCCCCCC(C)CCC(C)C
InChI
InChI=1S/C16H34/c1-5-6-7-8-9-10-11-12-16(4)14-13-15(2)3/h15-16H,5-14H2,1-4H3
InChIKey
RQSUKZIRUMCUSU-UHFFFAOYSA-N
Compound name
2,5-dimethyltetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.26605 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.27333 165.7
[M+Na]+ 249.25527 168.4
[M-H]- 225.25877 164.4
[M+NH4]+ 244.29987 184.2
[M+K]+ 265.22921 166.5
[M+H-H2O]+ 209.26331 159.8
[M+HCOO]- 271.26425 184.2
[M+CH3COO]- 285.27990 199.3
[M+Na-2H]- 247.24072 164.9
[M]+ 226.26550 169.5
[M]- 226.26660 169.5
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