CID 19002

Sch 1312

Structural Information

Molecular Formula
C14H21NO3
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(=O)OC
InChI
InChI=1S/C14H21NO3/c1-4-15(5-2)10-11-18-13-8-6-12(7-9-13)14(16)17-3/h6-9H,4-5,10-11H2,1-3H3
InChIKey
OCHYTARYRUQPFW-UHFFFAOYSA-N
Compound name
methyl 4-[2-(diethylamino)ethoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

251.15215 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.159426 159.5
[M+Na]+ 274.141368 165.0
[M-H]- 250.144874 164.1
[M+NH4]+ 269.185973 177.1
[M+K]+ 290.115308 164.7
[M+H-H2O]+ 234.149410 152.2
[M+HCOO]- 296.150351 183.9
[M+CH3COO]- 310.166001 201.2
[M+Na-2H]- 272.126816 162.6
[M]+ 251.15160142 165.1
[M]- 251.15269858 165.1
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