CID 545790

Dodecane, 2,2,11,11-tetramethyl-

Structural Information

Molecular Formula
C16H34
SMILES
CC(C)(C)CCCCCCCCC(C)(C)C
InChI
InChI=1S/C16H34/c1-15(2,3)13-11-9-7-8-10-12-14-16(4,5)6/h7-14H2,1-6H3
InChIKey
CAIXULOWWKTPAP-UHFFFAOYSA-N
Compound name
2,2,11,11-tetramethyldodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

226.26605 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.273326 163.8
[M+Na]+ 249.255268 168.1
[M-H]- 225.258774 163.2
[M+NH4]+ 244.299873 182.9
[M+K]+ 265.229208 166.2
[M+H-H2O]+ 209.263310 159.3
[M+HCOO]- 271.264251 181.3
[M+CH3COO]- 285.279901 197.2
[M+Na-2H]- 247.240716 167.1
[M]+ 226.26550142 167.9
[M]- 226.26659858 167.9
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