CID 86155512

(2s,3s,4s)-5,7,9,11-tridecatetrayne-1,2,3,4-tetrol

Structural Information

Molecular Formula
C13H12O4
SMILES
CC#CC#CC#CC#CC(C(C(CO)O)O)O
InChI
InChI=1S/C13H12O4/c1-2-3-4-5-6-7-8-9-11(15)13(17)12(16)10-14/h11-17H,10H2,1H3
InChIKey
CBKQFMQQQCEGGI-UHFFFAOYSA-N
Compound name
trideca-5,7,9,11-tetrayne-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

232.07356 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08084 166.5
[M+Na]+ 255.06278 171.3
[M-H]- 231.06628 169.2
[M+NH4]+ 250.10738 170.0
[M+K]+ 271.03672 169.2
[M+H-H2O]+ 215.07082 159.4
[M+HCOO]- 277.07176 165.6
[M+CH3COO]- 291.08741 242.2
[M+Na-2H]- 253.04823 162.7
[M]+ 232.07301 160.9
[M]- 232.07411 160.9
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.