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 134.0
[M+Na]+ 178.08386 140.1
[M-H]- 154.08736 136.2
[M+NH4]+ 173.12846 154.0
[M+K]+ 194.05780 139.6
[M+H-H2O]+ 138.09190 128.4
[M+HCOO]- 200.09284 156.9
[M+CH3COO]- 214.10849 174.7
[M+Na-2H]- 176.06931 138.8
[M]+ 155.09409 133.3
[M]- 155.09519 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.