CID 117093

Einecs 275-278-1

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CCC(=O)NC1=CC(=C(C=C1)OCCOC)N
InChI
InChI=1S/C12H18N2O3/c1-3-12(15)14-9-4-5-11(10(13)8-9)17-7-6-16-2/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKey
ZYKLZWBYDIJLOK-UHFFFAOYSA-N
Compound name
N-[3-amino-4-(2-methoxyethoxy)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

238.13174 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.139016 154.2
[M+Na]+ 261.120958 160.3
[M-H]- 237.124464 157.3
[M+NH4]+ 256.165563 171.2
[M+K]+ 277.094898 158.8
[M+H-H2O]+ 221.129000 147.0
[M+HCOO]- 283.129941 179.0
[M+CH3COO]- 297.145591 197.5
[M+Na-2H]- 259.106406 157.6
[M]+ 238.13119142 156.3
[M]- 238.13228858 156.3
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

patents stripe