CID 142481

N-cyclopentylaniline

Structural Information

Molecular Formula
C11H15N
SMILES
C1CCC(C1)NC2=CC=CC=C2
InChI
InChI=1S/C11H15N/c1-2-6-10(7-3-1)12-11-8-4-5-9-11/h1-3,6-7,11-12H,4-5,8-9H2
InChIKey
WEULTTCXSOUGPM-UHFFFAOYSA-N
Compound name
N-cyclopentylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

161.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 134.6
[M+Na]+ 184.109668 139.5
[M-H]- 160.113174 140.6
[M+NH4]+ 179.154273 156.3
[M+K]+ 200.083608 136.9
[M+H-H2O]+ 144.117710 127.9
[M+HCOO]- 206.118651 158.9
[M+CH3COO]- 220.134301 178.5
[M+Na-2H]- 182.095116 140.2
[M]+ 161.11990142 129.8
[M]- 161.12099858 129.8
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