CID 14309406

7,9-tetradecadiynoic acid

Structural Information

Molecular Formula
C14H20O2
SMILES
CCCCC#CC#CCCCCCC(=O)O
InChI
InChI=1S/C14H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-4,9-13H2,1H3,(H,15,16)
InChIKey
UDDQRZKIDJCZJF-UHFFFAOYSA-N
Compound name
tetradeca-7,9-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 157.8
[M+Na]+ 243.13555 165.9
[M-H]- 219.13905 157.4
[M+NH4]+ 238.18015 169.7
[M+K]+ 259.10949 162.0
[M+H-H2O]+ 203.14359 144.4
[M+HCOO]- 265.14453 165.6
[M+CH3COO]- 279.16018 212.1
[M+Na-2H]- 241.12100 157.5
[M]+ 220.14578 151.3
[M]- 220.14688 151.3
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.