CID 11167

Methyl isothiocyanate

Structural Information

Molecular Formula
C2H3NS
SMILES
CN=C=S
InChI
InChI=1S/C2H3NS/c1-3-2-4/h1H3
InChIKey
LGDSHSYDSCRFAB-UHFFFAOYSA-N
Compound name
methylimino(sulfanylidene)methane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

103
References

26708
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 111.1
[M+Na]+ 95.987838 122.2
[M+NH4]+ 91.032443 120.8
[M+K]+ 111.96178 114.0
[M-H]- 71.991344 112.5
[M+Na-2H]- 93.973286 116.2
[M]+ 72.998071 113.4
[M]- 72.999169 113.4
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