CID 131752969

(e)-octacos-10-ene-1,12-diol

Structural Information

Molecular Formula
C28H56O2
SMILES
CCCCCCCCCCCCCCCCC(/C=C/CCCCCCCCCO)O
InChI
InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-22-25-28(30)26-23-20-17-14-12-15-18-21-24-27-29/h23,26,28-30H,2-22,24-25,27H2,1H3/b26-23+
InChIKey
APNXBSZKFIAFGU-WNAAXNPUSA-N
Compound name
(E)-octacos-10-ene-1,12-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.42804 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.43532 221.0
[M+Na]+ 447.41726 225.7
[M+NH4]+ 442.46186 221.8
[M+K]+ 463.39120 223.4
[M-H]- 423.42076 218.1
[M+Na-2H]- 445.40271 217.7
[M]+ 424.42749 220.3
[M]- 424.42859 220.3
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

No patent data available for this compound.