CID 134812238

Deca-4,6,8-triyne-1,1,2,3-tetraol

Structural Information

Molecular Formula
C10H10O4
SMILES
CC#CC#CC#CC(C(C(O)O)O)O
InChI
InChI=1S/C10H10O4/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-14H,1H3
InChIKey
ICORPYQPLLHFNZ-UHFFFAOYSA-N
Compound name
deca-4,6,8-triyne-1,1,2,3-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0579 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 167.2
[M+Na]+ 217.04712 174.1
[M-H]- 193.05062 168.0
[M+NH4]+ 212.09172 174.0
[M+K]+ 233.02106 171.6
[M+H-H2O]+ 177.05516 156.1
[M+HCOO]- 239.05610 167.8
[M+CH3COO]- 253.07175 225.2
[M+Na-2H]- 215.03257 163.7
[M]+ 194.05735 158.2
[M]- 194.05845 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.