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

81
Patents

169.06737 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07465 131.3
[M+Na]+ 192.05659 139.7
[M-H]- 168.06009 133.8
[M+NH4]+ 187.10119 153.2
[M+K]+ 208.03053 136.3
[M+H-H2O]+ 152.06463 125.6
[M+HCOO]- 214.06557 148.7
[M+CH3COO]- 228.08122 144.3
[M+Na-2H]- 190.04204 134.0
[M]+ 169.06682 127.7
[M]- 169.06792 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