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]+ 156.10192 132.6
[M+Na]+ 178.08386 140.4
[M-H]- 154.08736 135.5
[M+NH4]+ 173.12846 153.2
[M+K]+ 194.05780 139.8
[M+H-H2O]+ 138.09190 128.1
[M+HCOO]- 200.09284 155.0
[M+CH3COO]- 214.10849 175.4
[M+Na-2H]- 176.06931 138.9
[M]+ 155.09409 132.5
[M]- 155.09519 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