CID 54170

78329-79-0

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CN(C)CCOCCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C13H20N2O3/c1-15(2)7-8-17-9-10-18-13(16)11-3-5-12(14)6-4-11/h3-6H,7-10,14H2,1-2H3
InChIKey
YEWZKNKRYURJHI-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1474 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15468 159.3
[M+Na]+ 275.13662 164.2
[M-H]- 251.14012 163.4
[M+NH4]+ 270.18122 176.1
[M+K]+ 291.11056 163.9
[M+H-H2O]+ 235.14466 151.6
[M+HCOO]- 297.14560 184.3
[M+CH3COO]- 311.16125 202.6
[M+Na-2H]- 273.12207 162.2
[M]+ 252.14685 162.6
[M]- 252.14795 162.6
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.