CID 16397

2085-85-0

Structural Information

Molecular Formula
C14H21NO4
SMILES
CCN(CC)CC(=O)OC1=C(C=CC=C1OC)OC
InChI
InChI=1S/C14H21NO4/c1-5-15(6-2)10-13(16)19-14-11(17-3)8-7-9-12(14)18-4/h7-9H,5-6,10H2,1-4H3
InChIKey
VBBZRJAAHCVNMT-UHFFFAOYSA-N
Compound name
(2,6-dimethoxyphenyl) 2-(diethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 161.6
[M+Na]+ 290.136278 167.9
[M-H]- 266.139784 166.5
[M+NH4]+ 285.180883 178.8
[M+K]+ 306.110218 168.2
[M+H-H2O]+ 250.144320 154.3
[M+HCOO]- 312.145261 186.1
[M+CH3COO]- 326.160911 204.5
[M+Na-2H]- 288.121726 164.1
[M]+ 267.14651142 169.0
[M]- 267.14760858 169.0
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.