CID 63204142

3-amino-2-[(furan-3-yl)methyl]propan-1-ol

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1=COC=C1CC(CN)CO
InChI
InChI=1S/C8H13NO2/c9-4-8(5-10)3-7-1-2-11-6-7/h1-2,6,8,10H,3-5,9H2
InChIKey
HDRLIKIYQVFLOU-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-(furan-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.5
[M+Na]+ 178.08386 142.6
[M+NH4]+ 173.12846 141.1
[M+K]+ 194.05780 140.1
[M-H]- 154.08736 135.6
[M+Na-2H]- 176.06931 137.4
[M]+ 155.09409 135.0
[M]- 155.09519 135.0
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

No patent data available for this compound.