CID 519145

2-methyldocosane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
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

literature stripe

Patent stripe

patents stripe