CID 54594974

1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol

Structural Information

Molecular Formula
C9H15NO2
SMILES
CC1=CC(=C(O1)C)C(C)(CN)O
InChI
InChI=1S/C9H15NO2/c1-6-4-8(7(2)12-6)9(3,11)5-10/h4,11H,5,10H2,1-3H3
InChIKey
IBRCIFMMJKHDPF-UHFFFAOYSA-N
Compound name
1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 136.6
[M+Na]+ 192.09950 146.2
[M+NH4]+ 187.14410 144.0
[M+K]+ 208.07344 144.4
[M-H]- 168.10300 138.3
[M+Na-2H]- 190.08495 140.1
[M]+ 169.10973 138.3
[M]- 169.11083 138.3
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.