CID 13226137

2-amino-1-(furan-2-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C6H7NO2
SMILES
C1=COC(=C1)C(=O)CN
InChI
InChI=1S/C6H7NO2/c7-4-5(8)6-2-1-3-9-6/h1-3H,4,7H2
InChIKey
DGQYYEJWTUWJBR-UHFFFAOYSA-N
Compound name
2-amino-1-(furan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

63
Patents

125.047676 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 122.8
[M+Na]+ 148.03689 130.5
[M-H]- 124.04040 126.9
[M+NH4]+ 143.08150 144.8
[M+K]+ 164.01083 130.9
[M+H-H2O]+ 108.04494 117.5
[M+HCOO]- 170.04588 148.2
[M+CH3COO]- 184.06153 170.3
[M+Na-2H]- 146.02234 129.3
[M]+ 125.04713 122.6
[M]- 125.04822 122.6
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