CID 161959

1-pentanone, 1-(4-aminophenyl)-

Structural Information

Molecular Formula
C11H15NO
SMILES
CCCCC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C11H15NO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4,12H2,1H3
InChIKey
ODSCUBSJIFLFPF-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

38
Patents

177.11537 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 139.9
[M+Na]+ 200.10459 146.5
[M-H]- 176.10809 142.9
[M+NH4]+ 195.14919 159.6
[M+K]+ 216.07853 144.1
[M+H-H2O]+ 160.11263 133.8
[M+HCOO]- 222.11357 163.6
[M+CH3COO]- 236.12922 184.6
[M+Na-2H]- 198.09004 144.3
[M]+ 177.11482 139.2
[M]- 177.11592 139.2
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

No patent data available for this compound.