CID 29591

19422-12-9

Structural Information

Molecular Formula
C12H19N2S
SMILES
CN(C)C1=CC=C(C=C1)C(=[N+](C)C)SC
InChI
InChI=1S/C12H19N2S/c1-13(2)11-8-6-10(7-9-11)12(15-5)14(3)4/h6-9H,1-5H3/q+1
InChIKey
SCNFHCWCBHYXQA-UHFFFAOYSA-N
Compound name
[[4-(dimethylamino)phenyl]-methylsulfanylmethylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12689 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13417 149.5
[M+Na]+ 246.11611 155.3
[M-H]- 222.11961 156.2
[M+NH4]+ 241.16071 169.0
[M+K]+ 262.09005 148.7
[M+H-H2O]+ 206.12415 145.2
[M+HCOO]- 268.12509 169.4
[M+CH3COO]- 282.14074 193.7
[M+Na-2H]- 244.10156 152.7
[M]+ 223.12634 151.0
[M]- 223.12744 151.0
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.