CID 545801

2,2-dimethyltetradecane

Structural Information

Molecular Formula
C16H34
SMILES
CCCCCCCCCCCCC(C)(C)C
InChI
InChI=1S/C16H34/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3
InChIKey
VCAMXEBNASZVEZ-UHFFFAOYSA-N
Compound name
2,2-dimethyltetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

517
Patents

226.26605 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.273326 164.6
[M+Na]+ 249.255268 168.4
[M-H]- 225.258774 163.6
[M+NH4]+ 244.299873 183.5
[M+K]+ 265.229208 166.0
[M+H-H2O]+ 209.263310 159.3
[M+HCOO]- 271.264251 183.7
[M+CH3COO]- 285.279901 197.4
[M+Na-2H]- 247.240716 167.1
[M]+ 226.26550142 169.3
[M]- 226.26659858 169.3
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