CID 67967921

1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethan-1-one dihydrochloride

Structural Information

Molecular Formula
C6H8N2OS
SMILES
CC(=O)C1=CSC(=N1)CN
InChI
InChI=1S/C6H8N2OS/c1-4(9)5-3-10-6(2-7)8-5/h3H,2,7H2,1H3
InChIKey
CNJFHGYGOBIRRY-UHFFFAOYSA-N
Compound name
1-[2-(aminomethyl)-1,3-thiazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

156.03574 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 130.6
[M+Na]+ 179.02496 139.6
[M-H]- 155.02846 133.2
[M+NH4]+ 174.06956 152.3
[M+K]+ 194.99890 137.6
[M+H-H2O]+ 139.03300 124.6
[M+HCOO]- 201.03394 150.0
[M+CH3COO]- 215.04959 176.0
[M+Na-2H]- 177.01041 132.0
[M]+ 156.03519 131.6
[M]- 156.03629 131.6
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

patents stripe