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 223.1
[M+Na]+ 447.41726 220.3
[M-H]- 423.42076 216.3
[M+NH4]+ 442.46186 219.0
[M+K]+ 463.39120 213.4
[M+H-H2O]+ 407.42530 214.8
[M+HCOO]- 469.42624 231.6
[M+CH3COO]- 483.44189 230.7
[M+Na-2H]- 445.40271 216.2
[M]+ 424.42749 230.3
[M]- 424.42859 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.