CID 37068

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

Structural Information

Molecular Formula
C13H19NO4
SMILES
CN(C)CCOC(=O)COC1=CC=CC=C1OC
InChI
InChI=1S/C13H19NO4/c1-14(2)8-9-17-13(15)10-18-12-7-5-4-6-11(12)16-3/h4-7H,8-10H2,1-3H3
InChIKey
PCHUYEBUNAYRDU-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(2-methoxyphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13869 157.6
[M+Na]+ 276.12063 163.3
[M-H]- 252.12413 162.3
[M+NH4]+ 271.16523 175.0
[M+K]+ 292.09457 163.9
[M+H-H2O]+ 236.12867 150.2
[M+HCOO]- 298.12961 182.5
[M+CH3COO]- 312.14526 200.3
[M+Na-2H]- 274.10608 161.3
[M]+ 253.13086 164.2
[M]- 253.13196 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

No patent data available for this compound.