CID 545611

2,3,5,8-tetramethyldecane

Structural Information

Molecular Formula
C14H30
SMILES
CCC(C)CCC(C)CC(C)C(C)C
InChI
InChI=1S/C14H30/c1-7-12(4)8-9-13(5)10-14(6)11(2)3/h11-14H,7-10H2,1-6H3
InChIKey
XTIADNINQBIUNR-UHFFFAOYSA-N
Compound name
2,3,5,8-tetramethyldecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

198.23476 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.242036 156.3
[M+Na]+ 221.223978 159.4
[M-H]- 197.227484 155.6
[M+NH4]+ 216.268583 175.8
[M+K]+ 237.197918 159.0
[M+H-H2O]+ 181.232020 151.1
[M+HCOO]- 243.232961 173.5
[M+CH3COO]- 257.248611 195.0
[M+Na-2H]- 219.209426 154.2
[M]+ 198.23421142 158.1
[M]- 198.23530858 158.1
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