CID 117258679

5-(aminomethyl)-4-chloro-n,n-dimethyl-1,3-thiazol-2-amine dihydrochloride

Structural Information

Molecular Formula
C6H10ClN3S
SMILES
CN(C)C1=NC(=C(S1)CN)Cl
InChI
InChI=1S/C6H10ClN3S/c1-10(2)6-9-5(7)4(3-8)11-6/h3,8H2,1-2H3
InChIKey
CTXIEZZVVOESOR-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-4-chloro-N,N-dimethyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0284 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.035676 138.5
[M+Na]+ 214.017618 148.3
[M-H]- 190.021124 142.6
[M+NH4]+ 209.062223 160.3
[M+K]+ 229.991558 145.3
[M+H-H2O]+ 174.025660 132.9
[M+HCOO]- 236.026601 155.2
[M+CH3COO]- 250.042251 187.4
[M+Na-2H]- 212.003066 139.6
[M]+ 191.02785142 141.9
[M]- 191.02894858 141.9
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

No patent data available for this compound.