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
1
Annotation Hits

0
References

12
Patents

238.13174 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 154.2
[M+Na]+ 261.12096 160.3
[M-H]- 237.12446 157.3
[M+NH4]+ 256.16556 171.2
[M+K]+ 277.09490 158.8
[M+H-H2O]+ 221.12900 147.0
[M+HCOO]- 283.12994 179.0
[M+CH3COO]- 297.14559 197.5
[M+Na-2H]- 259.10641 157.6
[M]+ 238.13119 156.3
[M]- 238.13229 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