CID 545800

2,2,9-trimethyldecane

Structural Information

Molecular Formula
C13H28
SMILES
CC(C)CCCCCCC(C)(C)C
InChI
InChI=1S/C13H28/c1-12(2)10-8-6-7-9-11-13(3,4)5/h12H,6-11H2,1-5H3
InChIKey
OFKVGIOPPPBWSB-UHFFFAOYSA-N
Compound name
2,2,9-trimethyldecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

184.2191 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.226376 150.7
[M+Na]+ 207.208318 155.5
[M-H]- 183.211824 150.4
[M+NH4]+ 202.252923 171.3
[M+K]+ 223.182258 154.4
[M+H-H2O]+ 167.216360 146.2
[M+HCOO]- 229.217301 169.8
[M+CH3COO]- 243.232951 189.1
[M+Na-2H]- 205.193766 153.6
[M]+ 184.21855142 153.6
[M]- 184.21964858 153.6
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