CID 208139

1-(2-furyl)-2-(isobutylamino)-1-propanone hydrochloride

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C)CNC(C)C(=O)C1=CC=CO1
InChI
InChI=1S/C11H17NO2/c1-8(2)7-12-9(3)11(13)10-5-4-6-14-10/h4-6,8-9,12H,7H2,1-3H3
InChIKey
VTRNVICMHVDOET-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-2-(2-methylpropylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 147.7
[M+Na]+ 218.11515 152.7
[M-H]- 194.11865 151.6
[M+NH4]+ 213.15975 167.0
[M+K]+ 234.08909 153.2
[M+H-H2O]+ 178.12319 141.6
[M+HCOO]- 240.12413 170.0
[M+CH3COO]- 254.13978 188.0
[M+Na-2H]- 216.10060 149.9
[M]+ 195.12538 149.1
[M]- 195.12648 149.1
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.