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]+ 157.043016 130.6
[M+Na]+ 179.024958 139.6
[M-H]- 155.028464 133.2
[M+NH4]+ 174.069563 152.3
[M+K]+ 194.998898 137.6
[M+H-H2O]+ 139.033000 124.6
[M+HCOO]- 201.033941 150.0
[M+CH3COO]- 215.049591 176.0
[M+Na-2H]- 177.010406 132.0
[M]+ 156.03519142 131.6
[M]- 156.03628858 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