CID 43754873

Methyl({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)amine dihydrochloride

Structural Information

Molecular Formula
C8H11N3S
SMILES
CC1=C(N2C=CSC2=N1)CNC
InChI
InChI=1S/C8H11N3S/c1-6-7(5-9-2)11-3-4-12-8(11)10-6/h3-4,9H,5H2,1-2H3
InChIKey
ZWLKNZOOHYCFSQ-UHFFFAOYSA-N
Compound name
N-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.06737 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.074646 135.8
[M+Na]+ 204.056588 147.9
[M-H]- 180.060094 139.4
[M+NH4]+ 199.101193 159.1
[M+K]+ 220.030528 145.1
[M+H-H2O]+ 164.064630 130.0
[M+HCOO]- 226.065571 157.0
[M+CH3COO]- 240.081221 150.6
[M+Na-2H]- 202.042036 139.2
[M]+ 181.06682142 140.9
[M]- 181.06791858 140.9
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.