CID 9543612

6e,8e,12e,14e-hexadecatetraen-10-ynoic acid

Structural Information

Molecular Formula
C16H20O2
SMILES
C/C=C/C=C/C#C/C=C/C=C/CCCCC(=O)O
InChI
InChI=1S/C16H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-5,8-11H,12-15H2,1H3,(H,17,18)/b3-2+,5-4+,9-8+,11-10+
InChIKey
PQEDBXYGXRUDBS-BDPLZKCDSA-N
Compound name
(6E,8E,12E,14E)-hexadeca-6,8,12,14-tetraen-10-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.14633 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.15361 161.3
[M+Na]+ 267.13555 168.6
[M-H]- 243.13905 158.9
[M+NH4]+ 262.18015 176.6
[M+K]+ 283.10949 162.3
[M+H-H2O]+ 227.14359 150.1
[M+HCOO]- 289.14453 175.9
[M+CH3COO]- 303.16018 196.7
[M+Na-2H]- 265.12100 161.3
[M]+ 244.14578 156.9
[M]- 244.14688 156.9
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

No patent data available for this compound.