CID 22163126

2-amino-1-(furan-3-yl)ethan-1-olhydrochloride

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1=COC=C1C(CN)O
InChI
InChI=1S/C6H9NO2/c7-3-6(8)5-1-2-9-4-5/h1-2,4,6,8H,3,7H2
InChIKey
AKMQTTJUDZQMDN-UHFFFAOYSA-N
Compound name
2-amino-1-(furan-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

127.06333 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 124.5
[M+Na]+ 150.05255 133.9
[M+NH4]+ 145.09715 132.4
[M+K]+ 166.02649 131.9
[M-H]- 126.05605 126.6
[M+Na-2H]- 148.03800 128.9
[M]+ 127.06278 126.1
[M]- 127.06388 126.1
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