CID 134695209

Nebraskanic acid

Structural Information

Molecular Formula
C24H46O4
SMILES
CCCCCC[C@H](C/C=C\CCCCCCC[C@H](CCCCCC(=O)O)O)O
InChI
InChI=1S/C24H46O4/c1-2-3-4-12-17-22(25)18-13-9-7-5-6-8-10-14-19-23(26)20-15-11-16-21-24(27)28/h9,13,22-23,25-26H,2-8,10-12,14-21H2,1H3,(H,27,28)/b13-9-/t22-,23-/m1/s1
InChIKey
XTSZRMFZUAMBRN-FIIQTUGESA-N
Compound name
(Z,7R,18R)-7,18-dihydroxytetracos-15-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

398.3396 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.34688 211.4
[M+Na]+ 421.32882 209.6
[M-H]- 397.33232 204.2
[M+NH4]+ 416.37342 206.6
[M+K]+ 437.30276 204.4
[M+H-H2O]+ 381.33686 204.0
[M+HCOO]- 443.33780 212.6
[M+CH3COO]- 457.35345 221.1
[M+Na-2H]- 419.31427 203.8
[M]+ 398.33905 216.0
[M]- 398.34015 216.0
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