CID 6434752

Allylamine, n,n-dimethyl-3-(phenylthio)-

Structural Information

Molecular Formula
C11H15NS
SMILES
CN(C)C/C=C/SC1=CC=CC=C1
InChI
InChI=1S/C11H15NS/c1-12(2)9-6-10-13-11-7-4-3-5-8-11/h3-8,10H,9H2,1-2H3/b10-6+
InChIKey
MUWIULGHAOVBOB-UXBLZVDNSA-N
Compound name
(E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09251 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.099786 142.3
[M+Na]+ 216.081728 148.8
[M-H]- 192.085234 147.1
[M+NH4]+ 211.126333 162.8
[M+K]+ 232.055668 146.1
[M+H-H2O]+ 176.089770 135.7
[M+HCOO]- 238.090711 162.5
[M+CH3COO]- 252.106361 188.0
[M+Na-2H]- 214.067176 145.7
[M]+ 193.09196142 144.8
[M]- 193.09305858 144.8
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.