CID 50787

69781-44-8

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(CNC1CCCC1)OC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C16H24N2O2/c1-16(2,11-18-14-5-3-4-6-14)20-15(19)12-7-9-13(17)10-8-12/h7-10,14,18H,3-6,11,17H2,1-2H3
InChIKey
IZFFWSZEIRBDDW-UHFFFAOYSA-N
Compound name
[1-(cyclopentylamino)-2-methylpropan-2-yl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 166.4
[M+Na]+ 299.17300 169.4
[M-H]- 275.17650 171.7
[M+NH4]+ 294.21760 183.0
[M+K]+ 315.14694 166.8
[M+H-H2O]+ 259.18104 159.2
[M+HCOO]- 321.18198 187.5
[M+CH3COO]- 335.19763 202.9
[M+Na-2H]- 297.15845 167.9
[M]+ 276.18323 163.0
[M]- 276.18433 163.0
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.