CID 16203332

3-(furan-3-yl)aniline

Structural Information

Molecular Formula
C10H9NO
SMILES
C1=CC(=CC(=C1)N)C2=COC=C2
InChI
InChI=1S/C10H9NO/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-7H,11H2
InChIKey
LQDARHFLRKPAMM-UHFFFAOYSA-N
Compound name
3-(furan-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

159.06842 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 131.7
[M+Na]+ 182.05764 145.2
[M+NH4]+ 177.10224 141.4
[M+K]+ 198.03158 140.3
[M-H]- 158.06114 137.9
[M+Na-2H]- 180.04309 140.6
[M]+ 159.06787 135.4
[M]- 159.06897 135.4
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