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]+ 193.049526 165.6
[M+Na]+ 215.031468 173.0
[M-H]- 191.034974 167.0
[M+NH4]+ 210.076073 172.8
[M+K]+ 231.005408 170.2
[M+H-H2O]+ 175.039510 154.4
[M+HCOO]- 237.040451 167.2
[M+CH3COO]- 251.056101 225.1
[M+Na-2H]- 213.016916 162.9
[M]+ 192.04170142 157.3
[M]- 192.04279858 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.