CID 60672525

1-[2-(thiophen-3-yl)-1,3-thiazol-4-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C8H8N2S2
SMILES
C1=CSC=C1C2=NC(=CS2)CN
InChI
InChI=1S/C8H8N2S2/c9-3-7-5-12-8(10-7)6-1-2-11-4-6/h1-2,4-5H,3,9H2
InChIKey
CGCRNKUACCBAPB-UHFFFAOYSA-N
Compound name
(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0129 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.02018 137.2
[M+Na]+ 219.00212 149.3
[M-H]- 195.00562 143.9
[M+NH4]+ 214.04672 159.8
[M+K]+ 234.97606 144.8
[M+H-H2O]+ 179.01016 131.7
[M+HCOO]- 241.01110 155.2
[M+CH3COO]- 255.02675 151.8
[M+Na-2H]- 216.98757 137.5
[M]+ 196.01235 140.3
[M]- 196.01345 140.3
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.