CID 54068

78109-73-6

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CCOC1=CC=CC=C1C(=O)NCCCN
InChI
InChI=1S/C12H18N2O2/c1-2-16-11-7-4-3-6-10(11)12(15)14-9-5-8-13/h3-4,6-7H,2,5,8-9,13H2,1H3,(H,14,15)
InChIKey
BYCAUMHNZVLVLK-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)-2-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 151.5
[M+Na]+ 245.126048 156.8
[M-H]- 221.129554 154.2
[M+NH4]+ 240.170653 169.0
[M+K]+ 261.099988 154.6
[M+H-H2O]+ 205.134090 144.4
[M+HCOO]- 267.135031 176.1
[M+CH3COO]- 281.150681 194.1
[M+Na-2H]- 243.111496 155.6
[M]+ 222.13628142 151.7
[M]- 222.13737858 151.7
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.