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]+ 208.11545 146.2
[M+Na]+ 230.09739 153.2
[M-H]- 206.10089 151.2
[M+NH4]+ 225.14199 166.5
[M+K]+ 246.07133 150.2
[M+H-H2O]+ 190.10543 139.7
[M+HCOO]- 252.10637 166.1
[M+CH3COO]- 266.12202 192.1
[M+Na-2H]- 228.08284 148.5
[M]+ 207.10762 149.5
[M]- 207.10872 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.