CID 6434753

Allylamine, n,n-dimethyl-3-(p-tolylthio)-

Structural Information

Molecular Formula
C12H17NS
SMILES
CC1=CC=C(C=C1)S/C=C/CN(C)C
InChI
InChI=1S/C12H17NS/c1-11-5-7-12(8-6-11)14-10-4-9-13(2)3/h4-8,10H,9H2,1-3H3/b10-4+
InChIKey
NZZLLPOUUVOPNH-ONNFQVAWSA-N
Compound name
(E)-N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10817 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.115446 146.2
[M+Na]+ 230.097388 153.2
[M-H]- 206.100894 151.2
[M+NH4]+ 225.141993 166.5
[M+K]+ 246.071328 150.2
[M+H-H2O]+ 190.105430 139.7
[M+HCOO]- 252.106371 166.1
[M+CH3COO]- 266.122021 192.1
[M+Na-2H]- 228.082836 148.5
[M]+ 207.10762142 149.5
[M]- 207.10871858 149.5
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.