CID 85796

15066-64-5

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC(C1=C(C(=CO1)CO)CO)N
InChI
InChI=1S/C8H13NO3/c1-5(9)8-7(3-11)6(2-10)4-12-8/h4-5,10-11H,2-3,9H2,1H3
InChIKey
CXOGYHMVENOLIK-UHFFFAOYSA-N
Compound name
[5-(1-aminoethyl)-4-(hydroxymethyl)furan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

171.08954 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 136.9
[M+Na]+ 194.078758 144.3
[M-H]- 170.082264 138.4
[M+NH4]+ 189.123363 156.1
[M+K]+ 210.052698 143.4
[M+H-H2O]+ 154.086800 131.8
[M+HCOO]- 216.087741 158.4
[M+CH3COO]- 230.103391 176.8
[M+Na-2H]- 192.064206 139.9
[M]+ 171.08899142 136.5
[M]- 171.09008858 136.5
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