CID 2733318

1-cyano-n-methylthioformamide

Structural Information

Molecular Formula
C3H4N2S
SMILES
CNC(=S)C#N
InChI
InChI=1S/C3H4N2S/c1-5-3(6)2-4/h1H3,(H,5,6)
InChIKey
FKNLHKZVRQVEFF-UHFFFAOYSA-N
Compound name
1-cyano-N-methylmethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

100.00952 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.016796 121.1
[M+Na]+ 122.998738 130.6
[M-H]- 99.002244 123.1
[M+NH4]+ 118.043343 142.4
[M+K]+ 138.972678 130.3
[M+H-H2O]+ 83.006780 110.1
[M+HCOO]- 145.007721 137.1
[M+CH3COO]- 159.023371 180.9
[M+Na-2H]- 120.984186 125.0
[M]+ 100.00897142 116.3
[M]- 100.01006858 116.3
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