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]+ 207.05867 134.2
[M+Na]+ 229.04061 142.8
[M-H]- 205.04411 141.3
[M+NH4]+ 224.08521 149.0
[M+K]+ 245.01455 143.6
[M+H-H2O]+ 189.04865 123.1
[M+HCOO]- 251.04959 152.3
[M+CH3COO]- 265.06524 147.8
[M+Na-2H]- 227.02606 140.8
[M]+ 206.05084 145.1
[M]- 206.05194 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.