CID 23371894

4-(4-aminophenyl)cyclohexan-1-one

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CC(=O)CCC1C2=CC=C(C=C2)N
InChI
InChI=1S/C12H15NO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10H,3-4,7-8,13H2
InChIKey
VKGJREVQGXLTIY-UHFFFAOYSA-N
Compound name
4-(4-aminophenyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

189.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 141.3
[M+Na]+ 212.10459 147.0
[M-H]- 188.10809 147.1
[M+NH4]+ 207.14919 160.3
[M+K]+ 228.07853 143.8
[M+H-H2O]+ 172.11263 134.5
[M+HCOO]- 234.11357 162.9
[M+CH3COO]- 248.12922 184.6
[M+Na-2H]- 210.09004 145.4
[M]+ 189.11482 135.2
[M]- 189.11592 135.2
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