CID 528494

2-methylhenicosane

Structural Information

Molecular Formula
C22H46
SMILES
CCCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C22H46/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)3/h22H,4-21H2,1-3H3
InChIKey
JQMPJOXNMWUULP-UHFFFAOYSA-N
Compound name
2-methylhenicosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

390
Patents

310.35995 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.36723 192.3
[M+Na]+ 333.34917 192.7
[M-H]- 309.35267 189.7
[M+NH4]+ 328.39377 207.4
[M+K]+ 349.32311 188.7
[M+H-H2O]+ 293.35721 185.1
[M+HCOO]- 355.35815 209.8
[M+CH3COO]- 369.37380 216.3
[M+Na-2H]- 331.33462 189.5
[M]+ 310.35940 199.0
[M]- 310.36050 199.0
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