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]+ 200.085206 140.7
[M+Na]+ 222.067148 147.5
[M-H]- 198.070654 141.6
[M+NH4]+ 217.111753 159.6
[M+K]+ 238.041088 143.4
[M+H-H2O]+ 182.075190 134.5
[M+HCOO]- 244.076131 153.7
[M+CH3COO]- 258.091781 151.7
[M+Na-2H]- 220.052596 142.8
[M]+ 199.07738142 134.6
[M]- 199.07847858 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.