CID 15850759

174666-17-2

Structural Information

Molecular Formula
C5H8N2OS
SMILES
C1=C(N=C(S1)N)CCO
InChI
InChI=1S/C5H8N2OS/c6-5-7-4(1-2-8)3-9-5/h3,8H,1-2H2,(H2,6,7)
InChIKey
UMRNCFRWUPCKPK-UHFFFAOYSA-N
Compound name
2-(2-amino-1,3-thiazol-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

144.03574 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04302 126.3
[M+Na]+ 167.02496 135.4
[M-H]- 143.02846 127.5
[M+NH4]+ 162.06956 147.9
[M+K]+ 182.99890 132.8
[M+H-H2O]+ 127.03300 120.7
[M+HCOO]- 189.03394 145.4
[M+CH3COO]- 203.04959 170.5
[M+Na-2H]- 165.01041 129.0
[M]+ 144.03519 126.4
[M]- 144.03629 126.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe