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

2054
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

literature stripe

Patent stripe

patents stripe