CID 11816021

4-cyclopentylaniline

Structural Information

Molecular Formula
C11H15N
SMILES
C1CCC(C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H15N/c12-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9H,1-4,12H2
InChIKey
BKMMERYBDMQMFJ-UHFFFAOYSA-N
Compound name
4-cyclopentylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

161.12045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 134.9
[M+Na]+ 184.10967 140.9
[M-H]- 160.11317 140.9
[M+NH4]+ 179.15427 156.8
[M+K]+ 200.08361 137.8
[M+H-H2O]+ 144.11771 128.6
[M+HCOO]- 206.11865 158.7
[M+CH3COO]- 220.13430 178.9
[M+Na-2H]- 182.09512 138.8
[M]+ 161.11990 129.5
[M]- 161.12100 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe