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

2
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

patents stripe