CID 78850

2,2,4,4,5,5,7,7-octamethyloctane

Structural Information

Molecular Formula
C16H34
SMILES
CC(C)(C)CC(C)(C)C(C)(C)CC(C)(C)C
InChI
InChI=1S/C16H34/c1-13(2,3)11-15(7,8)16(9,10)12-14(4,5)6/h11-12H2,1-10H3
InChIKey
QGGICMFBIPBAOB-UHFFFAOYSA-N
Compound name
2,2,4,4,5,5,7,7-octamethyloctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

226.26605 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.273326 158.6
[M+Na]+ 249.255268 163.8
[M-H]- 225.258774 158.8
[M+NH4]+ 244.299873 177.9
[M+K]+ 265.229208 163.0
[M+H-H2O]+ 209.263310 155.5
[M+HCOO]- 271.264251 173.1
[M+CH3COO]- 285.279901 198.4
[M+Na-2H]- 247.240716 164.3
[M]+ 226.26550142 161.7
[M]- 226.26659858 161.7
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