CID 32188

24022-35-3

Structural Information

Molecular Formula
C14H21NO4
SMILES
CCN(CC)CCOC(=O)C1=C(C(=CC=C1)OC)O
InChI
InChI=1S/C14H21NO4/c1-4-15(5-2)9-10-19-14(17)11-7-6-8-12(18-3)13(11)16/h6-8,16H,4-5,9-10H2,1-3H3
InChIKey
XDUGUQBGQBJITD-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-hydroxy-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 162.1
[M+Na]+ 290.13628 167.9
[M-H]- 266.13978 165.6
[M+NH4]+ 285.18088 178.5
[M+K]+ 306.11022 167.4
[M+H-H2O]+ 250.14432 155.0
[M+HCOO]- 312.14526 185.1
[M+CH3COO]- 326.16091 202.0
[M+Na-2H]- 288.12173 164.1
[M]+ 267.14651 167.6
[M]- 267.14761 167.6
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.