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

6
Patents

143.05171 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05899 125.8
[M+Na]+ 166.04093 134.6
[M-H]- 142.04443 128.4
[M+NH4]+ 161.08553 147.9
[M+K]+ 182.01487 132.3
[M+H-H2O]+ 126.04897 119.5
[M+HCOO]- 188.04991 147.2
[M+CH3COO]- 202.06556 176.0
[M+Na-2H]- 164.02638 129.4
[M]+ 143.05116 125.6
[M]- 143.05226 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