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]+ 204.10192 143.0
[M+Na]+ 226.08386 150.5
[M-H]- 202.08736 150.1
[M+NH4]+ 221.12846 161.9
[M+K]+ 242.05780 148.8
[M+H-H2O]+ 186.09190 136.3
[M+HCOO]- 248.09284 168.8
[M+CH3COO]- 262.10849 185.3
[M+Na-2H]- 224.06931 149.2
[M]+ 203.09409 144.3
[M]- 203.09519 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.