CID 132351095

3-(2-amino-1,3-thiazol-5-yl)oxetan-3-ol

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
C1C(CO1)(C2=CN=C(S2)N)O
InChI
InChI=1S/C6H8N2O2S/c7-5-8-1-4(11-5)6(9)2-10-3-6/h1,9H,2-3H2,(H2,7,8)
InChIKey
WLLNRMRUDITWHD-UHFFFAOYSA-N
Compound name
3-(2-amino-1,3-thiazol-5-yl)oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.03065 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.037926 126.9
[M+Na]+ 195.019868 133.4
[M-H]- 171.023374 131.4
[M+NH4]+ 190.064473 140.9
[M+K]+ 210.993808 135.4
[M+H-H2O]+ 155.027910 116.2
[M+HCOO]- 217.028851 143.2
[M+CH3COO]- 231.044501 176.9
[M+Na-2H]- 193.005316 131.0
[M]+ 172.03010142 135.3
[M]- 172.03119858 135.3
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.