CID 43924

2,6,7-trimethyldecane

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

90
Patents

184.2191 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.22638 151.8
[M+Na]+ 207.20832 155.6
[M-H]- 183.21182 151.2
[M+NH4]+ 202.25292 172.0
[M+K]+ 223.18226 154.9
[M+H-H2O]+ 167.21636 146.7
[M+HCOO]- 229.21730 170.3
[M+CH3COO]- 243.23295 191.1
[M+Na-2H]- 205.19377 151.4
[M]+ 184.21855 153.8
[M]- 184.21965 153.8
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