CID 45160

Potassium selenocyanoacetate

Structural Information

Molecular Formula
C3H3NO2Se
SMILES
C(C(=O)O)[Se]C#N
InChI
InChI=1S/C3H3NO2Se/c4-2-7-1-3(5)6/h1H2,(H,5,6)
InChIKey
VSZTUOPTOVFUEE-UHFFFAOYSA-N
Compound name
2-selenocyanatoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

164.9329 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.94018 127.7
[M+Na]+ 187.92212 136.7
[M-H]- 163.92562 127.3
[M+NH4]+ 182.96672 147.5
[M+K]+ 203.89606 136.3
[M+H-H2O]+ 147.93016 116.6
[M+HCOO]- 209.93110 146.5
[M+CH3COO]- 223.94675 179.7
[M+Na-2H]- 185.90757 132.9
[M]+ 164.93235 123.0
[M]- 164.93345 123.0
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

patents stripe