CID 142411

2,2,6,6-tetramethylheptane

Structural Information

Molecular Formula
C11H24
SMILES
CC(C)(C)CCCC(C)(C)C
InChI
InChI=1S/C11H24/c1-10(2,3)8-7-9-11(4,5)6/h7-9H2,1-6H3
InChIKey
GKNMBVVJQTWDRT-UHFFFAOYSA-N
Compound name
2,2,6,6-tetramethylheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

738
Patents

156.1878 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.195076 140.4
[M+Na]+ 179.177018 146.8
[M-H]- 155.180524 140.8
[M+NH4]+ 174.221623 162.4
[M+K]+ 195.150958 146.3
[M+H-H2O]+ 139.185060 136.9
[M+HCOO]- 201.186001 159.6
[M+CH3COO]- 215.201651 182.0
[M+Na-2H]- 177.162466 146.4
[M]+ 156.18725142 142.6
[M]- 156.18834858 142.6
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