CID 56936211

2,2,6,8-tetramethylnonane

Structural Information

Molecular Formula
C13H28
SMILES
CC(C)CC(C)CCCC(C)(C)C
InChI
InChI=1S/C13H28/c1-11(2)10-12(3)8-7-9-13(4,5)6/h11-12H,7-10H2,1-6H3
InChIKey
BBGQBCBGXRNUHM-UHFFFAOYSA-N
Compound name
2,2,6,8-tetramethylnonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.2191 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.226376 150.3
[M+Na]+ 207.208318 154.9
[M-H]- 183.211824 150.1
[M+NH4]+ 202.252923 170.8
[M+K]+ 223.182258 154.3
[M+H-H2O]+ 167.216360 145.9
[M+HCOO]- 229.217301 168.4
[M+CH3COO]- 243.232951 189.9
[M+Na-2H]- 205.193766 152.0
[M]+ 184.21855142 152.5
[M]- 184.21964858 152.5
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