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]+ 173.03793 126.9
[M+Na]+ 195.01987 133.4
[M-H]- 171.02337 131.4
[M+NH4]+ 190.06447 140.9
[M+K]+ 210.99381 135.4
[M+H-H2O]+ 155.02791 116.2
[M+HCOO]- 217.02885 143.2
[M+CH3COO]- 231.04450 176.9
[M+Na-2H]- 193.00532 131.0
[M]+ 172.03010 135.3
[M]- 172.03120 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.