CID 21051220

4-(aminomethyl)-n-methyl-1,3-thiazol-2-amine dihydrochloride

Structural Information

Molecular Formula
C5H9N3S
SMILES
CNC1=NC(=CS1)CN
InChI
InChI=1S/C5H9N3S/c1-7-5-8-4(2-6)3-9-5/h3H,2,6H2,1H3,(H,7,8)
InChIKey
FJSMBHSKOJEYSY-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

143.05171 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.058986 125.8
[M+Na]+ 166.040928 134.6
[M-H]- 142.044434 128.4
[M+NH4]+ 161.085533 147.9
[M+K]+ 182.014868 132.3
[M+H-H2O]+ 126.048970 119.5
[M+HCOO]- 188.049911 147.2
[M+CH3COO]- 202.065561 176.0
[M+Na-2H]- 164.026376 129.4
[M]+ 143.05116142 125.6
[M]- 143.05225858 125.6
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