CID 3609351

N-(2,6-xylyl)cyanothioformamide

Structural Information

Molecular Formula
C10H10N2S
SMILES
CC1=C(C(=CC=C1)C)NC(=S)C#N
InChI
InChI=1S/C10H10N2S/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,1-2H3,(H,12,13)
InChIKey
FVIWBDPRBBNAJR-UHFFFAOYSA-N
Compound name
1-cyano-N-(2,6-dimethylphenyl)methanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.05647 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06375 138.7
[M+Na]+ 213.04569 150.1
[M+NH4]+ 208.09029 144.2
[M+K]+ 229.01963 139.2
[M-H]- 189.04919 134.5
[M+Na-2H]- 211.03114 142.6
[M]+ 190.05592 138.7
[M]- 190.05702 138.7
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

No patent data available for this compound.