CID 10731060

(10z,14e,16e)-10,14,16-octadecatrien-12-ynoic acid

Structural Information

Molecular Formula
C18H26O2
SMILES
C/C=C/C=C/C#C/C=C\CCCCCCCCC(=O)O
InChI
InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8-9H,10-17H2,1H3,(H,19,20)/b3-2+,5-4+,9-8-
InChIKey
KDVOULUCGQGVQH-IUDSIRJBSA-N
Compound name
(10Z,14E,16E)-octadeca-10,14,16-trien-12-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.19327 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.200546 169.0
[M+Na]+ 297.182488 175.2
[M-H]- 273.185994 166.2
[M+NH4]+ 292.227093 183.2
[M+K]+ 313.156428 169.0
[M+H-H2O]+ 257.190530 157.4
[M+HCOO]- 319.191471 182.9
[M+CH3COO]- 333.207121 203.4
[M+Na-2H]- 295.167936 168.1
[M]+ 274.19272142 166.0
[M]- 274.19381858 166.0
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

No patent data available for this compound.