CID 3503517

5-butyldocosan-5-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.41748 Da
Monoisotopic Mass

11.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.