CID 124707279

3-(1,3-benzothiazol-2-yl)oxetan-3-amine hydrochloride

Structural Information

Molecular Formula
C10H10N2OS
SMILES
C1C(CO1)(C2=NC3=CC=CC=C3S2)N
InChI
InChI=1S/C10H10N2OS/c11-10(5-13-6-10)9-12-7-3-1-2-4-8(7)14-9/h1-4H,5-6,11H2
InChIKey
IFCMHBRMYHZZEZ-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.05139 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.058666 134.2
[M+Na]+ 229.040608 142.8
[M-H]- 205.044114 141.3
[M+NH4]+ 224.085213 149.0
[M+K]+ 245.014548 143.6
[M+H-H2O]+ 189.048650 123.1
[M+HCOO]- 251.049591 152.3
[M+CH3COO]- 265.065241 147.8
[M+Na-2H]- 227.026056 140.8
[M]+ 206.05084142 145.1
[M]- 206.05193858 145.1
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.