CID 5282774

9-hexacosenoic acid

Structural Information

Molecular Formula
C26H50O2
SMILES
CCCCCCCCCCCCCCCC/C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h17-18H,2-16,19-25H2,1H3,(H,27,28)/b18-17+
InChIKey
WCVLVNLRVRJFLN-ISLYRVAYSA-N
Compound name
(E)-hexacos-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

394.38107 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.38835 212.9
[M+Na]+ 417.37029 211.8
[M-H]- 393.37379 208.0
[M+NH4]+ 412.41489 211.7
[M+K]+ 433.34423 205.6
[M+H-H2O]+ 377.37833 204.9
[M+HCOO]- 439.37927 228.4
[M+CH3COO]- 453.39492 226.7
[M+Na-2H]- 415.35574 207.6
[M]+ 394.38052 220.6
[M]- 394.38162 220.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe