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]+ 182.09979 138.8
[M+Na]+ 204.08173 145.8
[M-H]- 180.08523 142.1
[M+NH4]+ 199.12633 159.1
[M+K]+ 220.05567 142.6
[M+H-H2O]+ 164.08977 132.9
[M+HCOO]- 226.09071 157.0
[M+CH3COO]- 240.10636 184.3
[M+Na-2H]- 202.06718 140.6
[M]+ 181.09196 139.2
[M]- 181.09306 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.