CID 36903

(p-methoxyphenoxy)acetic acid 2-(dimethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C13H19NO4
SMILES
CN(C)CCOC(=O)COC1=CC=C(C=C1)OC
InChI
InChI=1S/C13H19NO4/c1-14(2)8-9-17-13(15)10-18-12-6-4-11(16-3)5-7-12/h4-7H,8-10H2,1-3H3
InChIKey
GIVPFOGRJAYKRR-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(4-methoxyphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

253.13141 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.138686 157.6
[M+Na]+ 276.120628 163.3
[M-H]- 252.124134 162.3
[M+NH4]+ 271.165233 175.0
[M+K]+ 292.094568 163.9
[M+H-H2O]+ 236.128670 150.2
[M+HCOO]- 298.129611 182.5
[M+CH3COO]- 312.145261 200.3
[M+Na-2H]- 274.106076 161.3
[M]+ 253.13086142 164.2
[M]- 253.13195858 164.2
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

patents stripe