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]+ 183.05867 129.9
[M+Na]+ 205.04061 135.8
[M-H]- 181.04411 135.1
[M+NH4]+ 200.08521 140.6
[M+K]+ 221.01455 137.4
[M+H-H2O]+ 165.04865 116.8
[M+HCOO]- 227.04959 146.2
[M+CH3COO]- 241.06524 183.5
[M+Na-2H]- 203.02606 134.5
[M]+ 182.05084 138.2
[M]- 182.05194 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.