CID 5448

5-(aminomethyl)-1,2-thiazol-3-ol dihydrochloride

Structural Information

Molecular Formula
C4H6N2OS
SMILES
C1=C(SNC1=O)CN
InChI
InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
InChIKey
QVBUOPGWPXUAHT-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1,2-thiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

190
Patents

130.02008 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.02736 123.2
[M+Na]+ 153.00930 133.0
[M+NH4]+ 148.05390 131.4
[M+K]+ 168.98324 128.1
[M-H]- 129.01280 123.9
[M+Na-2H]- 150.99475 127.5
[M]+ 130.01953 124.9
[M]- 130.02063 124.9
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