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]+ 171.05867 132.0
[M+Na]+ 193.04061 140.6
[M-H]- 169.04411 133.7
[M+NH4]+ 188.08521 153.7
[M+K]+ 209.01455 137.3
[M+H-H2O]+ 153.04865 126.9
[M+HCOO]- 215.04959 147.7
[M+CH3COO]- 229.06524 144.9
[M+Na-2H]- 191.02606 134.7
[M]+ 170.05084 129.7
[M]- 170.05194 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.