CID 54188

Brn 3034053

Structural Information

Molecular Formula
C14H21NO3
SMILES
CCN(CC)CC1=C(C=CC(=C1)C(=O)OCC)O
InChI
InChI=1S/C14H21NO3/c1-4-15(5-2)10-12-9-11(7-8-13(12)16)14(17)18-6-3/h7-9,16H,4-6,10H2,1-3H3
InChIKey
RCFIXNWIGMZKKS-UHFFFAOYSA-N
Compound name
ethyl 3-(diethylaminomethyl)-4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 159.3
[M+Na]+ 274.14137 165.3
[M-H]- 250.14487 162.8
[M+NH4]+ 269.18597 176.5
[M+K]+ 290.11531 164.2
[M+H-H2O]+ 234.14941 152.5
[M+HCOO]- 296.15035 182.1
[M+CH3COO]- 310.16600 199.9
[M+Na-2H]- 272.12682 161.3
[M]+ 251.15160 163.4
[M]- 251.15270 163.4
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

No patent data available for this compound.