CID 65457869

1-(2-aminophenyl)-2-cyclobutylethan-1-one

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CC(C1)CC(=O)C2=CC=CC=C2N
InChI
InChI=1S/C12H15NO/c13-11-7-2-1-6-10(11)12(14)8-9-4-3-5-9/h1-2,6-7,9H,3-5,8,13H2
InChIKey
DTTALDBDDRLUFU-UHFFFAOYSA-N
Compound name
1-(2-aminophenyl)-2-cyclobutylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.11537 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 141.7
[M+Na]+ 212.10459 146.2
[M-H]- 188.10809 147.4
[M+NH4]+ 207.14919 154.1
[M+K]+ 228.07853 146.8
[M+H-H2O]+ 172.11263 129.6
[M+HCOO]- 234.11357 163.2
[M+CH3COO]- 248.12922 189.0
[M+Na-2H]- 210.09004 145.2
[M]+ 189.11482 147.2
[M]- 189.11592 147.2
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