CID 332255

53051-97-1

Structural Information

Molecular Formula
C6H8N2S
SMILES
C1CC2=C(C1)SC(=N2)N
InChI
InChI=1S/C6H8N2S/c7-6-8-4-2-1-3-5(4)9-6/h1-3H2,(H2,7,8)
InChIKey
HUKBELGUWQLEFD-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

155
Patents

140.04082 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04810 125.8
[M+Na]+ 163.03004 135.8
[M-H]- 139.03354 129.5
[M+NH4]+ 158.07464 151.2
[M+K]+ 179.00398 133.7
[M+H-H2O]+ 123.03808 120.9
[M+HCOO]- 185.03902 145.5
[M+CH3COO]- 199.05467 140.5
[M+Na-2H]- 161.01549 128.3
[M]+ 140.04027 125.6
[M]- 140.04137 125.6
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