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]+ 268.15434 161.6
[M+Na]+ 290.13628 167.9
[M-H]- 266.13978 166.5
[M+NH4]+ 285.18088 178.8
[M+K]+ 306.11022 168.2
[M+H-H2O]+ 250.14432 154.3
[M+HCOO]- 312.14526 186.1
[M+CH3COO]- 326.16091 204.5
[M+Na-2H]- 288.12173 164.1
[M]+ 267.14651 169.0
[M]- 267.14761 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.