CID 101416021

2e,4e,6e,12e-tetradecatetraene-8,10-diynoic acid

Structural Information

Molecular Formula
C14H12O2
SMILES
C/C=C/C#CC#C/C=C/C=C/C=C/C(=O)O
InChI
InChI=1S/C14H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-3,8-13H,1H3,(H,15,16)/b3-2+,9-8+,11-10+,13-12+
InChIKey
PTIKOWATZQTTGA-VJPDNLQHSA-N
Compound name
(2E,4E,6E,12E)-tetradeca-2,4,6,12-tetraen-8,10-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.08372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 162.6
[M+Na]+ 235.07294 171.7
[M-H]- 211.07644 162.4
[M+NH4]+ 230.11754 174.7
[M+K]+ 251.04688 165.9
[M+H-H2O]+ 195.08098 149.2
[M+HCOO]- 257.08192 170.7
[M+CH3COO]- 271.09757 208.1
[M+Na-2H]- 233.05839 161.6
[M]+ 212.08317 153.9
[M]- 212.08427 153.9
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.