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]+ 193.079386 144.8
[M+Na]+ 215.061328 155.8
[M-H]- 191.064834 148.9
[M+NH4]+ 210.105933 163.3
[M+K]+ 231.035268 152.1
[M+H-H2O]+ 175.069370 132.9
[M+HCOO]- 237.070311 160.6
[M+CH3COO]- 251.085961 198.6
[M+Na-2H]- 213.046776 146.2
[M]+ 192.07156142 141.4
[M]- 192.07265858 141.4
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.