CID 25576

12773-62-5

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

CCCCOC1=CC=CC=C1C(=O)NCCN

InChI

InChI=1S/C13H20N2O2/c1-2-3-10-17-12-7-5-4-6-11(12)13(16)15-9-8-14/h4-7H,2-3,8-10,14H2,1H3,(H,15,16)

InChIKey

TXTJACNUPZMFPH-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-2-butoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.15248 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.159756	156.0
[M+Na]+	259.141698	160.9
[M-H]-	235.145204	158.6
[M+NH4]+	254.186303	172.9
[M+K]+	275.115638	158.5
[M+H-H2O]+	219.149740	148.7
[M+HCOO]-	281.150681	180.3
[M+CH3COO]-	295.166331	197.2
[M+Na-2H]-	257.127146	159.6
[M]+	236.15193142	156.6
[M]-	236.15302858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe