CID 4161309

3-(furan-2-yl)aniline

Structural Information

Molecular Formula
C10H9NO
SMILES
C1=CC(=CC(=C1)N)C2=CC=CO2
InChI
InChI=1S/C10H9NO/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7H,11H2
InChIKey
SLNKACMTMZYMNA-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

159.06842 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe