CID 545795

2,2,3,5-tetramethylheptane

Structural Information

Molecular Formula
C11H24
SMILES
CCC(C)CC(C)C(C)(C)C
InChI
InChI=1S/C11H24/c1-7-9(2)8-10(3)11(4,5)6/h9-10H,7-8H2,1-6H3
InChIKey
KXNFNEAZTWCHIL-UHFFFAOYSA-N
Compound name
2,2,3,5-tetramethylheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

156.1878 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.195076 140.8
[M+Na]+ 179.177018 146.2
[M-H]- 155.180524 141.0
[M+NH4]+ 174.221623 162.5
[M+K]+ 195.150958 146.2
[M+H-H2O]+ 139.185060 136.8
[M+HCOO]- 201.186001 159.6
[M+CH3COO]- 215.201651 183.9
[M+Na-2H]- 177.162466 143.6
[M]+ 156.18725142 142.3
[M]- 156.18834858 142.3
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