CID 19002

3483-96-3

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

16
Patents

251.15215 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 159.5
[M+Na]+ 274.14137 165.0
[M-H]- 250.14487 164.1
[M+NH4]+ 269.18597 177.1
[M+K]+ 290.11531 164.7
[M+H-H2O]+ 234.14941 152.2
[M+HCOO]- 296.15035 183.9
[M+CH3COO]- 310.16600 201.2
[M+Na-2H]- 272.12682 162.6
[M]+ 251.15160 165.1
[M]- 251.15270 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