CID 70041505

(1r)-1-(1,3-thiazol-2-yl)propan-1-ol hydrochloride

Structural Information

Molecular Formula
C6H9NOS
SMILES
CC[C@H](C1=NC=CS1)O
InChI
InChI=1S/C6H9NOS/c1-2-5(8)6-7-3-4-9-6/h3-5,8H,2H2,1H3/t5-/m1/s1
InChIKey
VRCSHNZIEDOOBA-RXMQYKEDSA-N
Compound name
(1R)-1-(1,3-thiazol-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

143.04048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.047756 128.1
[M+Na]+ 166.029698 136.5
[M-H]- 142.033204 129.6
[M+NH4]+ 161.074303 150.1
[M+K]+ 182.003638 134.8
[M+H-H2O]+ 126.037740 122.6
[M+HCOO]- 188.038681 145.6
[M+CH3COO]- 202.054331 169.1
[M+Na-2H]- 164.015146 130.2
[M]+ 143.03993142 129.4
[M]- 143.04102858 129.4
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.