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]+ 425.435316 223.1
[M+Na]+ 447.417258 220.3
[M-H]- 423.420764 216.3
[M+NH4]+ 442.461863 219.0
[M+K]+ 463.391198 213.4
[M+H-H2O]+ 407.425300 214.8
[M+HCOO]- 469.426241 231.6
[M+CH3COO]- 483.441891 230.7
[M+Na-2H]- 445.402706 216.2
[M]+ 424.42749142 230.3
[M]- 424.42858858 230.3
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.