CID 6441476

Trans-2-hexacosenoic acid

Structural Information

Molecular Formula
C26H50O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCC/C=C/C(=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/h24-25H,2-23H2,1H3,(H,27,28)/b25-24+
InChIKey
HMFPLNNQWZGXAH-OCOZRVBESA-N
Compound name
(E)-hexacos-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1115
Patents

394.38107 Da
Monoisotopic Mass

12.4
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

literature stripe

Patent stripe

patents stripe