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]+ 192.03568 138.5
[M+Na]+ 214.01762 148.3
[M-H]- 190.02112 142.6
[M+NH4]+ 209.06222 160.3
[M+K]+ 229.99156 145.3
[M+H-H2O]+ 174.02566 132.9
[M+HCOO]- 236.02660 155.2
[M+CH3COO]- 250.04225 187.4
[M+Na-2H]- 212.00307 139.6
[M]+ 191.02785 141.9
[M]- 191.02895 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.