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]+ 156.101916 134.0
[M+Na]+ 178.083858 140.1
[M-H]- 154.087364 136.2
[M+NH4]+ 173.128463 154.0
[M+K]+ 194.057798 139.6
[M+H-H2O]+ 138.091900 128.4
[M+HCOO]- 200.092841 156.9
[M+CH3COO]- 214.108491 174.7
[M+Na-2H]- 176.069306 138.8
[M]+ 155.09409142 133.3
[M]- 155.09518858 133.3
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.