CID 165942548

2680533-04-2

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
C1=CC(=NC2=C1OC(=C2)CN)Cl
InChI
InChI=1S/C8H7ClN2O/c9-8-2-1-7-6(11-8)3-5(4-10)12-7/h1-3H,4,10H2
InChIKey
TVILUHPMEBGMJV-UHFFFAOYSA-N
Compound name
(5-chlorofuro[3,2-b]pyridin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.02469 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03197 133.7
[M+Na]+ 205.01391 145.8
[M-H]- 181.01741 137.9
[M+NH4]+ 200.05851 154.8
[M+K]+ 220.98785 142.3
[M+H-H2O]+ 165.02195 128.3
[M+HCOO]- 227.02289 154.4
[M+CH3COO]- 241.03854 148.7
[M+Na-2H]- 202.99936 142.1
[M]+ 182.02414 137.8
[M]- 182.02524 137.8
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.