CID 50742

69781-18-6

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CCCC(C)NCCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C14H22N2O2/c1-3-4-11(2)16-9-10-18-14(17)12-5-7-13(15)8-6-12/h5-8,11,16H,3-4,9-10,15H2,1-2H3
InChIKey
BUKFDGRRAJZQKX-UHFFFAOYSA-N
Compound name
2-(pentan-2-ylamino)ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.16812 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 161.4
[M+Na]+ 273.15734 165.6
[M-H]- 249.16084 163.9
[M+NH4]+ 268.20194 177.7
[M+K]+ 289.13128 163.5
[M+H-H2O]+ 233.16538 154.0
[M+HCOO]- 295.16632 184.4
[M+CH3COO]- 309.18197 201.1
[M+Na-2H]- 271.14279 163.2
[M]+ 250.16757 161.8
[M]- 250.16867 161.8
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.