CID 44116799

1019108-35-0

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
CCOC(=O)C1CCC2=C1N=C(S2)N
InChI
InChI=1S/C9H12N2O2S/c1-2-13-8(12)5-3-4-6-7(5)11-9(10)14-6/h5H,2-4H2,1H3,(H2,10,11)
InChIKey
WPXJXXKAEGZYSK-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

212.06195 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06923 146.2
[M+Na]+ 235.05117 155.3
[M-H]- 211.05467 149.8
[M+NH4]+ 230.09577 168.8
[M+K]+ 251.02511 153.3
[M+H-H2O]+ 195.05921 141.1
[M+HCOO]- 257.06015 164.4
[M+CH3COO]- 271.07580 185.7
[M+Na-2H]- 233.03662 145.8
[M]+ 212.06140 148.8
[M]- 212.06250 148.8
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