CID 4046027

897552-35-1

Structural Information

Molecular Formula
C10H15NS
SMILES
CCSC1=CC=C(C=C1)C(C)N
InChI
InChI=1S/C10H15NS/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3
InChIKey
JPVWEKHGATUZRP-UHFFFAOYSA-N
Compound name
1-(4-ethylsulfanylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09251 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.099786 138.8
[M+Na]+ 204.081728 145.8
[M-H]- 180.085234 142.1
[M+NH4]+ 199.126333 159.1
[M+K]+ 220.055668 142.6
[M+H-H2O]+ 164.089770 132.9
[M+HCOO]- 226.090711 157.0
[M+CH3COO]- 240.106361 184.3
[M+Na-2H]- 202.067176 140.6
[M]+ 181.09196142 139.2
[M]- 181.09305858 139.2
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.