CID 104053454

4-(2-amino-1,3-thiazol-5-yl)piperidin-4-ol

Structural Information

Molecular Formula
C8H13N3OS
SMILES
C1CNCCC1(C2=CN=C(S2)N)O
InChI
InChI=1S/C8H13N3OS/c9-7-11-5-6(13-7)8(12)1-3-10-4-2-8/h5,10,12H,1-4H2,(H2,9,11)
InChIKey
BNDSTVWYIAIBCZ-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-5-yl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.07793 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08521 140.7
[M+Na]+ 222.06715 147.5
[M-H]- 198.07065 141.6
[M+NH4]+ 217.11175 159.6
[M+K]+ 238.04109 143.4
[M+H-H2O]+ 182.07519 134.5
[M+HCOO]- 244.07613 153.7
[M+CH3COO]- 258.09178 151.7
[M+Na-2H]- 220.05260 142.8
[M]+ 199.07738 134.6
[M]- 199.07848 134.6
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.