CID 54594975

1-amino-2-(5-methylfuran-2-yl)propan-2-ol

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC1=CC=C(O1)C(C)(CN)O
InChI
InChI=1S/C8H13NO2/c1-6-3-4-7(11-6)8(2,10)5-9/h3-4,10H,5,9H2,1-2H3
InChIKey
KWVBLNLMSMEPMJ-UHFFFAOYSA-N
Compound name
1-amino-2-(5-methylfuran-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.09464 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 132.6
[M+Na]+ 178.083858 140.4
[M-H]- 154.087364 135.5
[M+NH4]+ 173.128463 153.2
[M+K]+ 194.057798 139.8
[M+H-H2O]+ 138.091900 128.1
[M+HCOO]- 200.092841 155.0
[M+CH3COO]- 214.108491 175.4
[M+Na-2H]- 176.069306 138.9
[M]+ 155.09409142 132.5
[M]- 155.09518858 132.5
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

patents stripe