CID 131751993

(3e,11z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol

Structural Information

Molecular Formula
C13H12O2
SMILES
C/C=C\C#CC#CC#C/C=C/C(CO)O
InChI
InChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13-15H,12H2,1H3/b3-2-,11-10+
InChIKey
GVCJUCQUVWZELI-JSQGHLFOSA-N
Compound name
(3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

200.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09100 191.3
[M+Na]+ 223.07294 195.4
[M+NH4]+ 218.11754 189.1
[M+K]+ 239.04688 186.7
[M-H]- 199.07644 180.1
[M+Na-2H]- 221.05839 186.1
[M]+ 200.08317 187.5
[M]- 200.08427 187.5
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.