CID 4091808

N-(2,3-xylyl)cyanothioformamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.05647 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.063746 146.4
[M+Na]+ 213.045688 156.7
[M-H]- 189.049194 150.8
[M+NH4]+ 208.090293 164.9
[M+K]+ 229.019628 153.1
[M+H-H2O]+ 173.053730 134.3
[M+HCOO]- 235.054671 162.0
[M+CH3COO]- 249.070321 197.5
[M+Na-2H]- 211.031136 148.2
[M]+ 190.05592142 142.3
[M]- 190.05701858 142.3
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

No patent data available for this compound.