CID 59356297

1050502-37-8

Structural Information

Molecular Formula
C9H17NO3S3Si
SMILES
CO[Si](CCCSC(=S)SCC#N)(OC)OC
InChI
InChI=1S/C9H17NO3S3Si/c1-11-17(12-2,13-3)8-4-6-15-9(14)16-7-5-10/h4,6-8H2,1-3H3
InChIKey
NGRLZFIXIPQVRW-UHFFFAOYSA-N
Compound name
2-(3-trimethoxysilylpropylsulfanylcarbothioylsulfanyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

311.01398 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.02126 173.4
[M+Na]+ 334.00320 180.2
[M-H]- 310.00670 174.1
[M+NH4]+ 329.04780 187.7
[M+K]+ 349.97714 177.7
[M+H-H2O]+ 294.01124 161.2
[M+HCOO]- 356.01218 175.0
[M+CH3COO]- 370.02783 209.2
[M+Na-2H]- 331.98865 171.9
[M]+ 311.01343 174.7
[M]- 311.01453 174.7
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