CID 16747787

1,26-hexacosanediol

Structural Information

Molecular Formula
C26H54O2
SMILES
C(CCCCCCCCCCCCCO)CCCCCCCCCCCCO
InChI
InChI=1S/C26H54O2/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28/h27-28H,1-26H2
InChIKey
IDELJCANVIPGPV-UHFFFAOYSA-N
Compound name
hexacosane-1,26-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

94
Patents

398.41238 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.41966 214.4
[M+Na]+ 421.40160 212.3
[M-H]- 397.40510 207.9
[M+NH4]+ 416.44620 224.4
[M+K]+ 437.37554 206.1
[M+H-H2O]+ 381.40964 206.3
[M+HCOO]- 443.41058 229.0
[M+CH3COO]- 457.42623 225.5
[M+Na-2H]- 419.38705 209.9
[M]+ 398.41183 222.3
[M]- 398.41293 222.3
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