CID 16768177

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

Structural Information

Molecular Formula
C7H11NO2
SMILES
CC1=CC=C(O1)C(CN)O
InChI
InChI=1S/C7H11NO2/c1-5-2-3-7(10-5)6(9)4-8/h2-3,6,9H,4,8H2,1H3
InChIKey
LOUYNTQIAKVVPZ-UHFFFAOYSA-N
Compound name
2-amino-1-(5-methylfuran-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 129.1
[M+Na]+ 164.068198 136.5
[M-H]- 140.071704 131.9
[M+NH4]+ 159.112803 150.0
[M+K]+ 180.042138 136.3
[M+H-H2O]+ 124.076240 124.0
[M+HCOO]- 186.077181 152.3
[M+CH3COO]- 200.092831 172.9
[M+Na-2H]- 162.053646 133.8
[M]+ 141.07843142 128.4
[M]- 141.07952858 128.4
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.