CID 55256079

3-amino-3-(furan-2-yl)propan-1-ol

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1=COC(=C1)C(CCO)N
InChI
InChI=1S/C7H11NO2/c8-6(3-4-9)7-2-1-5-10-7/h1-2,5-6,9H,3-4,8H2
InChIKey
UCEDMXFZQPQWEQ-UHFFFAOYSA-N
Compound name
3-amino-3-(furan-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

141.07898 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 129.3
[M+Na]+ 164.068198 135.8
[M-H]- 140.071704 131.7
[M+NH4]+ 159.112803 149.9
[M+K]+ 180.042138 135.6
[M+H-H2O]+ 124.076240 123.9
[M+HCOO]- 186.077181 152.6
[M+CH3COO]- 200.092831 171.7
[M+Na-2H]- 162.053646 134.7
[M]+ 141.07843142 128.2
[M]- 141.07952858 128.2
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