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

44
Patents

156.03574 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.043016 122.5
[M+Na]+ 179.024958 129.0
[M-H]- 155.028464 128.2
[M+NH4]+ 174.069563 137.7
[M+K]+ 194.998898 131.5
[M+H-H2O]+ 139.033000 111.7
[M+HCOO]- 201.033941 140.3
[M+CH3COO]- 215.049591 176.2
[M+Na-2H]- 177.010406 127.7
[M]+ 156.03519142 131.0
[M]- 156.03628858 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