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]+ 249.159756 161.1
[M+Na]+ 271.141698 163.0
[M-H]- 247.145204 166.2
[M+NH4]+ 266.186303 170.4
[M+K]+ 287.115638 164.5
[M+H-H2O]+ 231.149740 147.2
[M+HCOO]- 293.150681 181.8
[M+CH3COO]- 307.166331 202.1
[M+Na-2H]- 269.127146 162.0
[M]+ 248.15193142 166.9
[M]- 248.15302858 166.9
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.