CID 10329721

2,6-diamino-4,5,6,7-tetrahydrobenzothiazole

Structural Information

Molecular Formula
C7H11N3S
SMILES
C1CC2=C(CC1N)SC(=N2)N
InChI
InChI=1S/C7H11N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h4H,1-3,8H2,(H2,9,10)
InChIKey
DRRYZHHKWSHHFT-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

277
Patents

169.06737 Da
Monoisotopic Mass

0.5
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

literature stripe

Patent stripe

patents stripe