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]+ 277.191056 167.5
[M+Na]+ 299.172998 169.8
[M-H]- 275.176504 172.6
[M+NH4]+ 294.217603 183.9
[M+K]+ 315.146938 167.2
[M+H-H2O]+ 259.181040 159.6
[M+HCOO]- 321.181981 189.1
[M+CH3COO]- 335.197631 203.4
[M+Na-2H]- 297.158446 166.7
[M]+ 276.18323142 163.9
[M]- 276.18432858 163.9
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.