CID 11229234

N-methyl(5-(pyridin-3-yl)furan-2-yl)methanamine

Structural Information

Molecular Formula
C11H12N2O
SMILES
CNCC1=CC=C(O1)C2=CN=CC=C2
InChI
InChI=1S/C11H12N2O/c1-12-8-10-4-5-11(14-10)9-3-2-6-13-7-9/h2-7,12H,8H2,1H3
InChIKey
MDGMPFRIYUFRRX-UHFFFAOYSA-N
Compound name
N-methyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

188.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 139.0
[M+Na]+ 211.08418 147.1
[M-H]- 187.08768 145.4
[M+NH4]+ 206.12878 157.5
[M+K]+ 227.05812 145.3
[M+H-H2O]+ 171.09222 131.6
[M+HCOO]- 233.09316 164.3
[M+CH3COO]- 247.10881 183.5
[M+Na-2H]- 209.06963 146.7
[M]+ 188.09441 140.1
[M]- 188.09551 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe