CID 11217273

(2-aminothiazol-5-yl)methanol

Structural Information

Molecular Formula
C4H6N2OS
SMILES
C1=C(SC(=N1)N)CO
InChI
InChI=1S/C4H6N2OS/c5-4-6-1-3(2-7)8-4/h1,7H,2H2,(H2,5,6)
InChIKey
TZEMBFLDHOUKNI-UHFFFAOYSA-N
Compound name
(2-amino-1,3-thiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

163
Patents

130.02008 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.027356 121.9
[M+Na]+ 153.009298 131.4
[M-H]- 129.012804 123.3
[M+NH4]+ 148.053903 144.1
[M+K]+ 168.983238 129.0
[M+H-H2O]+ 113.017340 116.5
[M+HCOO]- 175.018281 141.3
[M+CH3COO]- 189.033931 167.5
[M+Na-2H]- 150.994746 125.1
[M]+ 130.01953142 121.7
[M]- 130.02062858 121.7
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