CID 11168

Methyl thiocyanate

Structural Information

Molecular Formula
C2H3NS
SMILES
CSC#N
InChI
InChI=1S/C2H3NS/c1-4-2-3/h1H3
InChIKey
VYHVQEYOFIYNJP-UHFFFAOYSA-N
Compound name
methyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

18
References

2251
Patents

72.99862 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 74.005896 110.3
[M+Na]+ 95.987838 121.3
[M-H]- 71.991344 112.8
[M+NH4]+ 91.032443 133.2
[M+K]+ 111.96178 121.4
[M+H-H2O]+ 55.995880 100.1
[M+HCOO]- 117.99682 126.9
[M+CH3COO]- 132.01247 174.8
[M+Na-2H]- 93.973286 116.0
[M]+ 72.998071 107.4
[M]- 72.999169 107.4
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

No patent data available for this compound.