CID 50785

69781-43-7

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCC(COC(=O)C1=CC=C(C=C1)N)NC2CCCC2
InChI
InChI=1S/C16H24N2O2/c1-2-14(18-15-5-3-4-6-15)11-20-16(19)12-7-9-13(17)10-8-12/h7-10,14-15,18H,2-6,11,17H2,1H3
InChIKey
MSUJCRSDKVLROY-UHFFFAOYSA-N
Compound name
2-(cyclopentylamino)butyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 168.5
[M+Na]+ 299.17300 176.0
[M+NH4]+ 294.21760 175.5
[M+K]+ 315.14694 172.3
[M-H]- 275.17650 171.8
[M+Na-2H]- 297.15845 172.9
[M]+ 276.18323 170.0
[M]- 276.18433 170.0
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.