CID 11804704

1-(furan-3-yl)ethanamine

Structural Information

Molecular Formula
C6H9NO
SMILES
CC(C1=COC=C1)N
InChI
InChI=1S/C6H9NO/c1-5(7)6-2-3-8-4-6/h2-5H,7H2,1H3
InChIKey
SBVKKZRVKMOURL-UHFFFAOYSA-N
Compound name
1-(furan-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

111.06841 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 121.1
[M+Na]+ 134.05763 128.5
[M-H]- 110.06113 125.1
[M+NH4]+ 129.10223 143.7
[M+K]+ 150.03157 129.0
[M+H-H2O]+ 94.065670 115.9
[M+HCOO]- 156.06661 146.0
[M+CH3COO]- 170.08226 169.2
[M+Na-2H]- 132.04308 127.5
[M]+ 111.06786 120.1
[M]- 111.06896 120.1
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