CID 54048773

2745-24-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 124.6
[M+Na]+ 150.05255 131.5
[M-H]- 126.05605 127.2
[M+NH4]+ 145.09715 145.8
[M+K]+ 166.02649 131.5
[M+H-H2O]+ 110.06059 119.4
[M+HCOO]- 172.06153 148.2
[M+CH3COO]- 186.07718 168.7
[M+Na-2H]- 148.03800 130.5
[M]+ 127.06278 123.2
[M]- 127.06388 123.2
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