CID 557214

Bis[(furan-2-yl)methyl]amine

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1=COC(=C1)CNCC2=CC=CO2
InChI
InChI=1S/C10H11NO2/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6,11H,7-8H2
InChIKey
LGTHRBXRBOVOKE-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

177.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 134.5
[M+Na]+ 200.06820 142.8
[M-H]- 176.07170 143.0
[M+NH4]+ 195.11280 155.0
[M+K]+ 216.04214 143.1
[M+H-H2O]+ 160.07624 128.9
[M+HCOO]- 222.07718 162.6
[M+CH3COO]- 236.09283 179.1
[M+Na-2H]- 198.05365 142.8
[M]+ 177.07843 138.5
[M]- 177.07953 138.5
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