CID 11064938

60857-14-9

Structural Information

Molecular Formula
C13H19NO4
SMILES
CCOC(=O)CNCC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C13H19NO4/c1-4-18-13(15)9-14-8-10-5-6-11(16-2)12(7-10)17-3/h5-7,14H,4,8-9H2,1-3H3
InChIKey
GPPROFFYWOEFCY-UHFFFAOYSA-N
Compound name
ethyl 2-[(3,4-dimethoxyphenyl)methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

253.13141 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13869 157.1
[M+Na]+ 276.12063 163.6
[M-H]- 252.12413 160.7
[M+NH4]+ 271.16523 174.2
[M+K]+ 292.09457 162.8
[M+H-H2O]+ 236.12867 150.1
[M+HCOO]- 298.12961 181.5
[M+CH3COO]- 312.14526 198.1
[M+Na-2H]- 274.10608 160.9
[M]+ 253.13086 162.9
[M]- 253.13196 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe