CID 7130823

868238-07-7

Structural Information

Molecular Formula
C9H10N2S2
SMILES
CC1=NC(=CS1)C2=CC=C(S2)CN
InChI
InChI=1S/C9H10N2S2/c1-6-11-8(5-12-6)9-3-2-7(4-10)13-9/h2-3,5H,4,10H2,1H3
InChIKey
KKXXKTKEZQJYKE-UHFFFAOYSA-N
Compound name
[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

210.02853 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.035806 141.5
[M+Na]+ 233.017748 153.9
[M-H]- 209.021254 148.3
[M+NH4]+ 228.062353 163.8
[M+K]+ 248.991688 149.1
[M+H-H2O]+ 193.025790 136.1
[M+HCOO]- 255.026731 159.1
[M+CH3COO]- 269.042381 156.0
[M+Na-2H]- 231.003196 140.7
[M]+ 210.02798142 145.3
[M]- 210.02907858 145.3
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

patents stripe