CID 71756014

3-amino-1-(furan-2-yl)butan-1-one hydrochloride

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC(CC(=O)C1=CC=CO1)N
InChI
InChI=1S/C8H11NO2/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4,6H,5,9H2,1H3
InChIKey
APEQIFISCQQGBW-UHFFFAOYSA-N
Compound name
3-amino-1-(furan-2-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 133.2
[M+Na]+ 176.06820 139.8
[M-H]- 152.07170 137.0
[M+NH4]+ 171.11280 154.0
[M+K]+ 192.04214 140.1
[M+H-H2O]+ 136.07624 127.6
[M+HCOO]- 198.07718 156.9
[M+CH3COO]- 212.09283 177.3
[M+Na-2H]- 174.05365 137.3
[M]+ 153.07843 133.1
[M]- 153.07953 133.1
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.