CID 15721844

2-(furan-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C6H9NO
SMILES
C1=COC=C1CCN
InChI
InChI=1S/C6H9NO/c7-3-1-6-2-4-8-5-6/h2,4-5H,1,3,7H2
InChIKey
HQFMZQJGVKVYHK-UHFFFAOYSA-N
Compound name
2-(furan-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

111.06841 Da
Monoisotopic Mass

0.3
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

No literature data available for this compound.

Patent stripe

patents stripe