CID 25882

2-(cyclobutylamino)-3',4'-dihydroxy-acetophenone hydrochloride

Structural Information

Molecular Formula
C12H15NO3
SMILES
C1CC(C1)NCC(=O)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C12H15NO3/c14-10-5-4-8(6-11(10)15)12(16)7-13-9-2-1-3-9/h4-6,9,13-15H,1-3,7H2
InChIKey
DIXKOFLNBQFVTB-UHFFFAOYSA-N
Compound name
2-(cyclobutylamino)-1-(3,4-dihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 148.7
[M+Na]+ 244.09442 152.6
[M-H]- 220.09792 152.4
[M+NH4]+ 239.13902 158.6
[M+K]+ 260.06836 153.1
[M+H-H2O]+ 204.10246 136.5
[M+HCOO]- 266.10340 168.1
[M+CH3COO]- 280.11905 190.1
[M+Na-2H]- 242.07987 151.3
[M]+ 221.10465 154.5
[M]- 221.10575 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.