CID 57885

100482-31-3

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CCNC1=CC=C(C=C1)C(=O)OCC(CN2CCCC2)O
InChI
InChI=1S/C16H24N2O3/c1-2-17-14-7-5-13(6-8-14)16(20)21-12-15(19)11-18-9-3-4-10-18/h5-8,15,17,19H,2-4,9-12H2,1H3
InChIKey
BJVWBPMGLDHHTP-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-pyrrolidin-1-ylpropyl) 4-(ethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 171.4
[M+Na]+ 315.16790 179.1
[M+NH4]+ 310.21250 177.2
[M+K]+ 331.14184 176.0
[M-H]- 291.17140 172.7
[M+Na-2H]- 313.15335 175.0
[M]+ 292.17813 172.3
[M]- 292.17923 172.3
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.