CID 108522

60878-87-7

Structural Information

Molecular Formula
C12H15N2S
SMILES
C[N+]1=C(SCC1)C=CNC2=CC=CC=C2
InChI
InChI=1S/C12H14N2S/c1-14-9-10-15-12(14)7-8-13-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/p+1
InChIKey
PTROZTUDAJIDBT-UHFFFAOYSA-O
Compound name
N-[2-(3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.0956 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10288 147.7
[M+Na]+ 242.08482 155.1
[M-H]- 218.08832 153.5
[M+NH4]+ 237.12942 166.7
[M+K]+ 258.05876 145.1
[M+H-H2O]+ 202.09286 143.2
[M+HCOO]- 264.09380 166.8
[M+CH3COO]- 278.10945 180.5
[M+Na-2H]- 240.07027 152.2
[M]+ 219.09505 145.8
[M]- 219.09615 145.8
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.