CID 130497385

5-[(5-fluoropyridin-3-yl)methyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C9H8FN3S
SMILES
C1=C(C=NC=C1F)CC2=CN=C(S2)N
InChI
InChI=1S/C9H8FN3S/c10-7-1-6(3-12-4-7)2-8-5-13-9(11)14-8/h1,3-5H,2H2,(H2,11,13)
InChIKey
HAVATYMUYCWUSX-UHFFFAOYSA-N
Compound name
5-[(5-fluoro-3-pyridinyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0423 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.049576 139.6
[M+Na]+ 232.031518 150.3
[M-H]- 208.035024 143.1
[M+NH4]+ 227.076123 158.1
[M+K]+ 248.005458 145.6
[M+H-H2O]+ 192.039560 131.4
[M+HCOO]- 254.040501 158.3
[M+CH3COO]- 268.056151 152.8
[M+Na-2H]- 230.016966 142.1
[M]+ 209.04175142 139.3
[M]- 209.04284858 139.3
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.