CID 519147

2-methyloctacosane

Structural Information

Molecular Formula
C29H60
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C29H60/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(2)3/h29H,4-28H2,1-3H3
InChIKey
YGCGPCUUTAKOEU-UHFFFAOYSA-N
Compound name
2-methyloctacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

114
Patents

408.4695 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.47678 223.0
[M+Na]+ 431.45872 220.4
[M-H]- 407.46222 218.8
[M+NH4]+ 426.50332 234.0
[M+K]+ 447.43266 214.5
[M+H-H2O]+ 391.46676 214.4
[M+HCOO]- 453.46770 238.0
[M+CH3COO]- 467.48335 236.8
[M+Na-2H]- 429.44417 216.4
[M]+ 408.46895 232.3
[M]- 408.47005 232.3
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