CID 45793

Tl-1179

Structural Information

Molecular Formula
C12H19N2S2
SMILES
CN(C)C(=S)SC1=CC=C(C=C1)[N+](C)(C)C
InChI
InChI=1S/C12H19N2S2/c1-13(2)12(15)16-11-8-6-10(7-9-11)14(3,4)5/h6-9H,1-5H3/q+1
InChIKey
MAQXINIJPNXPLB-UHFFFAOYSA-N
Compound name
[4-(dimethylcarbamothioylsulfanyl)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.09897 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10625 150.0
[M+Na]+ 278.08819 156.0
[M-H]- 254.09169 156.1
[M+NH4]+ 273.13279 168.5
[M+K]+ 294.06213 147.5
[M+H-H2O]+ 238.09623 145.6
[M+HCOO]- 300.09717 163.1
[M+CH3COO]- 314.11282 197.7
[M+Na-2H]- 276.07364 153.5
[M]+ 255.09842 151.4
[M]- 255.09952 151.4
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.