CID 210570

21303-75-3

Structural Information

Molecular Formula
C12H17N2S
SMILES
C[N+]1=C(SCC1)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C12H17N2S/c1-13(2)11-6-4-10(5-7-11)12-14(3)8-9-15-12/h4-7H,8-9H2,1-3H3/q+1
InChIKey
YNVXRGBMUJISQT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11125 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11853 145.4
[M+Na]+ 244.10047 159.8
[M+NH4]+ 239.14507 156.5
[M+K]+ 260.07441 153.3
[M-H]- 220.10397 152.3
[M+Na-2H]- 242.08592 154.4
[M]+ 221.11070 150.3
[M]- 221.11180 150.3
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.