CID 115014500

3-(4-aminophenyl)cyclopentan-1-one

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CC(=O)CC1C2=CC=C(C=C2)N
InChI
InChI=1S/C11H13NO/c12-10-4-1-8(2-5-10)9-3-6-11(13)7-9/h1-2,4-5,9H,3,6-7,12H2
InChIKey
BZXDAJHUFAFQCS-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.09972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 137.0
[M+Na]+ 198.088938 144.1
[M-H]- 174.092444 143.3
[M+NH4]+ 193.133543 158.4
[M+K]+ 214.062878 140.9
[M+H-H2O]+ 158.096980 130.8
[M+HCOO]- 220.097921 161.1
[M+CH3COO]- 234.113571 181.1
[M+Na-2H]- 196.074386 140.2
[M]+ 175.09917142 132.7
[M]- 175.10026858 132.7
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.