CID 92670040

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

Structural Information

Molecular Formula
C6H10N2OS
SMILES
C1=CSC(=N1)[C@H](CCO)N
InChI
InChI=1S/C6H10N2OS/c7-5(1-3-9)6-8-2-4-10-6/h2,4-5,9H,1,3,7H2/t5-/m0/s1
InChIKey
MLEQXZUBJLXZKM-YFKPBYRVSA-N
Compound name
(3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.05139 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.058666 131.7
[M+Na]+ 181.040608 139.1
[M-H]- 157.044114 132.5
[M+NH4]+ 176.085213 152.3
[M+K]+ 197.014548 136.8
[M+H-H2O]+ 141.048650 125.6
[M+HCOO]- 203.049591 149.5
[M+CH3COO]- 217.065241 173.2
[M+Na-2H]- 179.026056 133.4
[M]+ 158.05084142 131.1
[M]- 158.05193858 131.1
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.