CID 2330514

[(4-amino-3-ethyl-5-methylphenyl)sulfanyl]formonitrile

Structural Information

Molecular Formula
C10H12N2S
SMILES
CCC1=C(C(=CC(=C1)SC#N)C)N
InChI
InChI=1S/C10H12N2S/c1-3-8-5-9(13-6-11)4-7(2)10(8)12/h4-5H,3,12H2,1-2H3
InChIKey
ARNYTCIHTIYQHE-UHFFFAOYSA-N
Compound name
(4-amino-3-ethyl-5-methylphenyl) thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

192.07211 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07939 137.7
[M+Na]+ 215.06133 149.4
[M+NH4]+ 210.10593 143.4
[M+K]+ 231.03527 138.4
[M-H]- 191.06483 133.8
[M+Na-2H]- 213.04678 141.4
[M]+ 192.07156 137.9
[M]- 192.07266 137.9
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

No patent data available for this compound.