CID 129650615

5-methyl-5-pentacosanol

Structural Information

Molecular Formula
C26H54O
SMILES
CCCCCCCCCCCCCCCCCCCCC(C)(CCCC)O
InChI
InChI=1S/C26H54O/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-26(3,27)24-7-5-2/h27H,4-25H2,1-3H3
InChIKey
ARDDYMQZJBTFEB-UHFFFAOYSA-N
Compound name
5-methylpentacosan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.41748 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.42476 212.7
[M+Na]+ 405.40670 211.7
[M-H]- 381.41020 208.0
[M+NH4]+ 400.45130 224.3
[M+K]+ 421.38064 206.2
[M+H-H2O]+ 365.41474 205.4
[M+HCOO]- 427.41568 227.0
[M+CH3COO]- 441.43133 226.9
[M+Na-2H]- 403.39215 209.3
[M]+ 382.41693 220.7
[M]- 382.41803 220.7
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

No patent data available for this compound.