CID 92670040

2743427-25-8

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]+ 159.05867 131.8
[M+Na]+ 181.04061 140.5
[M+NH4]+ 176.08521 139.9
[M+K]+ 197.01455 135.9
[M-H]- 157.04411 132.5
[M+Na-2H]- 179.02606 135.8
[M]+ 158.05084 133.3
[M]- 158.05194 133.3
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.