CID 56355

92197-98-3

Structural Information

Molecular Formula
C13H19NO3
SMILES
CCNCCOC(=O)C1=CC=C(C=C1)OCC
InChI
InChI=1S/C13H19NO3/c1-3-14-9-10-17-13(15)11-5-7-12(8-6-11)16-4-2/h5-8,14H,3-4,9-10H2,1-2H3
InChIKey
YULTTXAGPJTTKP-UHFFFAOYSA-N
Compound name
2-(ethylamino)ethyl 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 154.9
[M+Na]+ 260.12571 160.5
[M-H]- 236.12921 158.0
[M+NH4]+ 255.17031 172.3
[M+K]+ 276.09965 159.1
[M+H-H2O]+ 220.13375 147.8
[M+HCOO]- 282.13469 179.0
[M+CH3COO]- 296.15034 194.8
[M+Na-2H]- 258.11116 159.2
[M]+ 237.13594 158.7
[M]- 237.13704 158.7
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.