CID 528499

8-methyldocosane

Structural Information

Molecular Formula
C23H48
SMILES
CCCCCCCCCCCCCCC(C)CCCCCCC
InChI
InChI=1S/C23H48/c1-4-6-8-10-11-12-13-14-15-16-18-20-22-23(3)21-19-17-9-7-5-2/h23H,4-22H2,1-3H3
InChIKey
MGRABISZXSXVCR-UHFFFAOYSA-N
Compound name
8-methyldocosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

324.3756 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.38288 196.8
[M+Na]+ 347.36482 196.7
[M-H]- 323.36832 193.9
[M+NH4]+ 342.40942 211.3
[M+K]+ 363.33876 192.5
[M+H-H2O]+ 307.37286 189.4
[M+HCOO]- 369.37380 213.9
[M+CH3COO]- 383.38945 219.3
[M+Na-2H]- 345.35027 193.4
[M]+ 324.37505 203.9
[M]- 324.37615 203.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe