CID 83686260

(piperidin-4-yl)(1,3-thiazol-2-yl)methanol dihydrochloride

Structural Information

Molecular Formula
C9H14N2OS
SMILES
C1CNCCC1C(C2=NC=CS2)O
InChI
InChI=1S/C9H14N2OS/c12-8(9-11-5-6-13-9)7-1-3-10-4-2-7/h5-8,10,12H,1-4H2
InChIKey
NEFLDEFRMOXPIT-UHFFFAOYSA-N
Compound name
piperidin-4-yl(1,3-thiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.08269 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08997 142.9
[M+Na]+ 221.07191 148.0
[M-H]- 197.07541 143.6
[M+NH4]+ 216.11651 160.0
[M+K]+ 237.04585 144.6
[M+H-H2O]+ 181.07995 135.9
[M+HCOO]- 243.08089 154.1
[M+CH3COO]- 257.09654 153.4
[M+Na-2H]- 219.05736 142.8
[M]+ 198.08214 137.4
[M]- 198.08324 137.4
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.