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 137.0
[M+Na]+ 192.09950 145.3
[M-H]- 168.10300 140.1
[M+NH4]+ 187.14410 157.4
[M+K]+ 208.07344 144.5
[M+H-H2O]+ 152.10754 132.6
[M+HCOO]- 214.10848 159.0
[M+CH3COO]- 228.12413 179.7
[M+Na-2H]- 190.08495 142.1
[M]+ 169.10973 137.7
[M]- 169.11083 137.7
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.