CID 91996874

Einecs 283-599-3

Structural Information

Molecular Formula
C4H12N2O3SSi
SMILES
C(C[Si](O)(O)O)CSC(=N)N
InChI
InChI=1S/C4H12N2O3SSi/c5-4(6)10-2-1-3-11(7,8)9/h7-9H,1-3H2,(H3,5,6)
InChIKey
FJVHMHWDUMNNJY-UHFFFAOYSA-N
Compound name
3-trihydroxysilylpropyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

196.03378 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.041056 139.7
[M+Na]+ 219.022998 144.1
[M-H]- 195.026504 134.9
[M+NH4]+ 214.067603 156.7
[M+K]+ 234.996938 141.2
[M+H-H2O]+ 179.031040 134.4
[M+HCOO]- 241.031981 153.1
[M+CH3COO]- 255.047631 175.7
[M+Na-2H]- 217.008446 141.4
[M]+ 196.03323142 136.4
[M]- 196.03432858 136.4
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

patents stripe