CID 11171679

N,n-dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine

Structural Information

Molecular Formula
C12H14N2O
SMILES
CN(C)CC1=CC=C(O1)C2=CN=CC=C2
InChI
InChI=1S/C12H14N2O/c1-14(2)9-11-5-6-12(15-11)10-4-3-7-13-8-10/h3-8H,9H2,1-2H3
InChIKey
PJHSLLRNPASXIS-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

202.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 144.2
[M+Na]+ 225.09983 151.9
[M-H]- 201.10333 151.8
[M+NH4]+ 220.14443 162.7
[M+K]+ 241.07377 151.3
[M+H-H2O]+ 185.10787 136.3
[M+HCOO]- 247.10881 169.6
[M+CH3COO]- 261.12446 190.0
[M+Na-2H]- 223.08528 150.5
[M]+ 202.11006 146.8
[M]- 202.11116 146.8
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