CID 50817

69781-64-2

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(COC(=O)C1=CC=C(C=C1)N)NC2CCC2
InChI
InChI=1S/C14H20N2O2/c1-10(16-13-3-2-4-13)9-18-14(17)11-5-7-12(15)8-6-11/h5-8,10,13,16H,2-4,9,15H2,1H3
InChIKey
VWRHWHRJNASBFV-UHFFFAOYSA-N
Compound name
2-(cyclobutylamino)propyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 163.4
[M+Na]+ 271.14170 167.7
[M+NH4]+ 266.18630 166.4
[M+K]+ 287.11564 164.3
[M-H]- 247.14520 163.8
[M+Na-2H]- 269.12715 165.8
[M]+ 248.15193 162.6
[M]- 248.15303 162.6
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.