CID 1132863

2-furanethanamine

Structural Information

Molecular Formula
C6H9NO
SMILES
C1=COC(=C1)CCN
InChI
InChI=1S/C6H9NO/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
InChIKey
ZQSLNSHMUQXSQJ-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

486
Patents

111.06841 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 120.0
[M+Na]+ 134.05763 127.7
[M-H]- 110.06113 123.9
[M+NH4]+ 129.10223 142.7
[M+K]+ 150.03157 127.8
[M+H-H2O]+ 94.065670 114.8
[M+HCOO]- 156.06661 145.9
[M+CH3COO]- 170.08226 168.4
[M+Na-2H]- 132.04308 127.7
[M]+ 111.06786 119.7
[M]- 111.06896 119.7
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