CID 139594195

Ns00059178

Structural Information

Molecular Formula
C11H14N2S
SMILES
C1CS[C@@H]2N1CC(N2)C3=CC=CC=C3
InChI
InChI=1S/C11H14N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10-12H,6-8H2/t10?,11-/m0/s1
InChIKey
BQCLJTZQPUUUBR-DTIOYNMSSA-N
Compound name
(7aS)-6-phenyl-2,3,5,6,7,7a-hexahydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08777 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.095046 144.9
[M+Na]+ 229.076988 152.8
[M-H]- 205.080494 148.7
[M+NH4]+ 224.121593 165.9
[M+K]+ 245.050928 148.9
[M+H-H2O]+ 189.085030 138.6
[M+HCOO]- 251.085971 158.8
[M+CH3COO]- 265.101621 156.9
[M+Na-2H]- 227.062436 144.8
[M]+ 206.08722142 141.7
[M]- 206.08831858 141.7
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.