CID 54595271

1-amino-2-(furan-2-yl)propan-2-ol

Structural Information

Molecular Formula
C7H11NO2
SMILES
CC(CN)(C1=CC=CO1)O
InChI
InChI=1S/C7H11NO2/c1-7(9,5-8)6-3-2-4-10-6/h2-4,9H,5,8H2,1H3
InChIKey
HCEFDRFLECEKNL-UHFFFAOYSA-N
Compound name
1-amino-2-(furan-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

141.07898 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 128.2
[M+Na]+ 164.068198 135.4
[M-H]- 140.071704 130.8
[M+NH4]+ 159.112803 149.0
[M+K]+ 180.042138 135.1
[M+H-H2O]+ 124.076240 123.5
[M+HCOO]- 186.077181 150.9
[M+CH3COO]- 200.092831 171.2
[M+Na-2H]- 162.053646 135.7
[M]+ 141.07843142 127.3
[M]- 141.07952858 127.3
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

patents stripe