CID 4191105

4-(furan-2-yl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
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 130.4
[M+Na]+ 182.05764 139.0
[M-H]- 158.06114 138.0
[M+NH4]+ 177.10224 151.3
[M+K]+ 198.03158 137.3
[M+H-H2O]+ 142.06568 124.4
[M+HCOO]- 204.06662 156.8
[M+CH3COO]- 218.08227 145.3
[M+Na-2H]- 180.04309 137.8
[M]+ 159.06787 129.7
[M]- 159.06897 129.7
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