CID 41209

2,6,10,15-tetramethylheptadecane

Structural Information

Molecular Formula
C21H44
SMILES
CCC(C)CCCCC(C)CCCC(C)CCCC(C)C
InChI
InChI=1S/C21H44/c1-7-19(4)13-8-9-14-20(5)16-11-17-21(6)15-10-12-18(2)3/h18-21H,7-17H2,1-6H3
InChIKey
ZZEQNXPBKOFTBG-UHFFFAOYSA-N
Compound name
2,6,10,15-tetramethylheptadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

296.3443 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.351576 189.0
[M+Na]+ 319.333518 189.3
[M-H]- 295.337024 186.9
[M+NH4]+ 314.378123 204.6
[M+K]+ 335.307458 186.9
[M+H-H2O]+ 279.341560 182.4
[M+HCOO]- 341.342501 203.9
[M+CH3COO]- 355.358151 215.7
[M+Na-2H]- 317.318966 183.0
[M]+ 296.34375142 193.4
[M]- 296.34484858 193.4
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