CID 67481694

1415899-75-0

Structural Information

Molecular Formula
C6H8N2OS
SMILES
C1C(CO1)(C2=NC=CS2)N
InChI
InChI=1S/C6H8N2OS/c7-6(3-9-4-6)5-8-1-2-10-5/h1-2H,3-4,7H2
InChIKey
PDVIHOUAVBQLIK-UHFFFAOYSA-N
Compound name
3-(1,3-thiazol-2-yl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

156.03574 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 122.5
[M+Na]+ 179.02496 129.0
[M-H]- 155.02846 128.2
[M+NH4]+ 174.06956 137.7
[M+K]+ 194.99890 131.5
[M+H-H2O]+ 139.03300 111.7
[M+HCOO]- 201.03394 140.3
[M+CH3COO]- 215.04959 176.2
[M+Na-2H]- 177.01041 127.7
[M]+ 156.03519 131.0
[M]- 156.03629 131.0
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

patents stripe