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

70
Patents

189.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 141.3
[M+Na]+ 212.104588 147.0
[M-H]- 188.108094 147.1
[M+NH4]+ 207.149193 160.3
[M+K]+ 228.078528 143.8
[M+H-H2O]+ 172.112630 134.5
[M+HCOO]- 234.113571 162.9
[M+CH3COO]- 248.129221 184.6
[M+Na-2H]- 210.090036 145.4
[M]+ 189.11482142 135.2
[M]- 189.11591858 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