CID 176692

Decane, trimethyl-

Structural Information

Molecular Formula
C13H28
SMILES
CCCCCCCCCC(C)(C)C
InChI
InChI=1S/C13H28/c1-5-6-7-8-9-10-11-12-13(2,3)4/h5-12H2,1-4H3
InChIKey
QDKSGHXRHXVMPF-UHFFFAOYSA-N
Compound name
2,2-dimethylundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1813
Patents

184.2191 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.226376 150.8
[M+Na]+ 207.208318 155.8
[M-H]- 183.211824 150.3
[M+NH4]+ 202.252923 171.4
[M+K]+ 223.182258 154.2
[M+H-H2O]+ 167.216360 146.1
[M+HCOO]- 229.217301 170.8
[M+CH3COO]- 243.232951 188.4
[M+Na-2H]- 205.193766 154.9
[M]+ 184.21855142 154.3
[M]- 184.21964858 154.3
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