CID 20115166

3-[(furan-2-ylmethoxy)methyl]aniline

Structural Information

Molecular Formula
C12H13NO2
SMILES
C1=CC(=CC(=C1)N)COCC2=CC=CO2
InChI
InChI=1S/C12H13NO2/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7H,8-9,13H2
InChIKey
MVBPXKRSAKNDTQ-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethoxymethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.101916 143.0
[M+Na]+ 226.083858 150.5
[M-H]- 202.087364 150.1
[M+NH4]+ 221.128463 161.9
[M+K]+ 242.057798 148.8
[M+H-H2O]+ 186.091900 136.3
[M+HCOO]- 248.092841 168.8
[M+CH3COO]- 262.108491 185.3
[M+Na-2H]- 224.069306 149.2
[M]+ 203.09409142 144.3
[M]- 203.09518858 144.3
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.