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]+ 191.06375 146.4
[M+Na]+ 213.04569 156.7
[M-H]- 189.04919 150.8
[M+NH4]+ 208.09029 164.9
[M+K]+ 229.01963 153.1
[M+H-H2O]+ 173.05373 134.3
[M+HCOO]- 235.05467 162.0
[M+CH3COO]- 249.07032 197.5
[M+Na-2H]- 211.03114 148.2
[M]+ 190.05592 142.3
[M]- 190.05702 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.