CID 21941934

4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine dihydrochloride

Structural Information

Molecular Formula
C7H11N3S
SMILES
C1CC(C2=C(C1)SC(=N2)N)N
InChI
InChI=1S/C7H11N3S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h4H,1-3,8H2,(H2,9,10)
InChIKey
SQZLNUUHMZTQKE-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

169.06737 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.074646 131.3
[M+Na]+ 192.056588 139.7
[M-H]- 168.060094 133.8
[M+NH4]+ 187.101193 153.2
[M+K]+ 208.030528 136.3
[M+H-H2O]+ 152.064630 125.6
[M+HCOO]- 214.065571 148.7
[M+CH3COO]- 228.081221 144.3
[M+Na-2H]- 190.042036 134.0
[M]+ 169.06682142 127.7
[M]- 169.06791858 127.7
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