CID 12143947

852108-07-7

Structural Information

Molecular Formula
C8H8N2S2
SMILES
C1=CSC(=C1)CC2=CN=C(S2)N
InChI
InChI=1S/C8H8N2S2/c9-8-10-5-7(12-8)4-6-2-1-3-11-6/h1-3,5H,4H2,(H2,9,10)
InChIKey
LUVCQVSFYRYSGX-UHFFFAOYSA-N
Compound name
5-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0129 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.020176 137.2
[M+Na]+ 219.002118 149.3
[M-H]- 195.005624 143.9
[M+NH4]+ 214.046723 159.8
[M+K]+ 234.976058 144.8
[M+H-H2O]+ 179.010160 131.7
[M+HCOO]- 241.011101 155.2
[M+CH3COO]- 255.026751 151.8
[M+Na-2H]- 216.987566 137.5
[M]+ 196.01235142 140.3
[M]- 196.01344858 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

literature stripe

Patent stripe

No patent data available for this compound.