CID 104037560

4-(oxetan-3-ylsulfanyl)pyridin-2-amine

Structural Information

Molecular Formula
C8H10N2OS
SMILES
C1C(CO1)SC2=CC(=NC=C2)N
InChI
InChI=1S/C8H10N2OS/c9-8-3-6(1-2-10-8)12-7-4-11-5-7/h1-3,7H,4-5H2,(H2,9,10)
InChIKey
DGXZLFVBWFYYMJ-UHFFFAOYSA-N
Compound name
4-(oxetan-3-ylsulfanyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05139 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.058666 129.9
[M+Na]+ 205.040608 135.8
[M-H]- 181.044114 135.1
[M+NH4]+ 200.085213 140.6
[M+K]+ 221.014548 137.4
[M+H-H2O]+ 165.048650 116.8
[M+HCOO]- 227.049591 146.2
[M+CH3COO]- 241.065241 183.5
[M+Na-2H]- 203.026056 134.5
[M]+ 182.05084142 138.2
[M]- 182.05193858 138.2
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.