CID 71437516

Deca-2,4,6-triynedioic acid

Structural Information

Molecular Formula
C10H6O4
SMILES
C(CC(=O)O)C#CC#CC#CC(=O)O
InChI
InChI=1S/C10H6O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h5,7H2,(H,11,12)(H,13,14)
InChIKey
AXNJDXRYHHYANB-UHFFFAOYSA-N
Compound name
deca-2,4,6-triynedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.02661 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03389 165.0
[M+Na]+ 213.01583 172.6
[M-H]- 189.01933 166.8
[M+NH4]+ 208.06043 172.4
[M+K]+ 228.98977 169.8
[M+H-H2O]+ 173.02387 153.7
[M+HCOO]- 235.02481 167.2
[M+CH3COO]- 249.04046 225.7
[M+Na-2H]- 211.00128 162.5
[M]+ 190.02606 157.1
[M]- 190.02716 157.1
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.