CID 44041

3,3'-mercuridi-2-propyn-1-ol

Structural Information

Molecular Formula
C6H6HgO2
SMILES
C(C#C[Hg]C#CCO)O
InChI
InChI=1S/2C3H3O.Hg/c2*1-2-3-4;/h2*4H,3H2;
InChIKey
QYYXGNGPJVHBPO-UHFFFAOYSA-N
Compound name
bis(3-hydroxyprop-1-ynyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.00742 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.01470 163.5
[M+Na]+ 334.99664 172.3
[M-H]- 311.00014 162.1
[M+NH4]+ 330.04124 176.3
[M+K]+ 350.97058 168.5
[M+H-H2O]+ 295.00468 149.9
[M+HCOO]- 357.00562 171.0
[M+CH3COO]- 371.02127 201.3
[M+Na-2H]- 332.98209 163.5
[M]+ 312.00687 155.1
[M]- 312.00797 155.1
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.