CID 5312795

2,10-dihydroxy-4,6,8-decatriynoic acid

Structural Information

Molecular Formula
C10H8O4
SMILES
C(C#CC#CC#CCO)C(C(=O)O)O
InChI
InChI=1S/C10H8O4/c11-8-6-4-2-1-3-5-7-9(12)10(13)14/h9,11-12H,7-8H2,(H,13,14)
InChIKey
RPSSCYORFZCANO-UHFFFAOYSA-N
Compound name
2,10-dihydroxydeca-4,6,8-triynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04225 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 165.6
[M+Na]+ 215.03147 173.0
[M-H]- 191.03497 167.0
[M+NH4]+ 210.07607 172.8
[M+K]+ 231.00541 170.2
[M+H-H2O]+ 175.03951 154.4
[M+HCOO]- 237.04045 167.2
[M+CH3COO]- 251.05610 225.1
[M+Na-2H]- 213.01692 162.9
[M]+ 192.04170 157.3
[M]- 192.04280 157.3
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.