CID 214714

4-aminooxymethylthiazole dihydrochloride

Structural Information

Molecular Formula
C4H6N2OS
SMILES
C1=C(N=CS1)CON
InChI
InChI=1S/C4H6N2OS/c5-7-1-4-2-8-3-6-4/h2-3H,1,5H2
InChIKey
DQJUWSOZRIKHQI-UHFFFAOYSA-N
Compound name
O-(1,3-thiazol-4-ylmethyl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

130.02008 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.027356 121.6
[M+Na]+ 153.009298 130.7
[M-H]- 129.012804 124.0
[M+NH4]+ 148.053903 144.2
[M+K]+ 168.983238 129.3
[M+H-H2O]+ 113.017340 115.6
[M+HCOO]- 175.018281 142.6
[M+CH3COO]- 189.033931 169.0
[M+Na-2H]- 150.994746 125.9
[M]+ 130.01953142 122.8
[M]- 130.02062858 122.8
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