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]+ 268.154336 162.1
[M+Na]+ 290.136278 167.9
[M-H]- 266.139784 165.6
[M+NH4]+ 285.180883 178.5
[M+K]+ 306.110218 167.4
[M+H-H2O]+ 250.144320 155.0
[M+HCOO]- 312.145261 185.1
[M+CH3COO]- 326.160911 202.0
[M+Na-2H]- 288.121726 164.1
[M]+ 267.14651142 167.6
[M]- 267.14760858 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.