CID 84103752

1628866-40-9

Structural Information

Molecular Formula
C7H10N2OS
SMILES
C1CC2=C(CC1O)SC(=N2)N
InChI
InChI=1S/C7H10N2OS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h4,10H,1-3H2,(H2,8,9)
InChIKey
MGHRWUKHVCQBKV-UHFFFAOYSA-N
Compound name
2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05139 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.058666 132.0
[M+Na]+ 193.040608 140.6
[M-H]- 169.044114 133.7
[M+NH4]+ 188.085213 153.7
[M+K]+ 209.014548 137.3
[M+H-H2O]+ 153.048650 126.9
[M+HCOO]- 215.049591 147.7
[M+CH3COO]- 229.065241 144.9
[M+Na-2H]- 191.026056 134.7
[M]+ 170.05084142 129.7
[M]- 170.05193858 129.7
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

No patent data available for this compound.