CID 43477036

1-[2-(morpholin-4-yl)ethyl]-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C11H16N2O3
SMILES
C1COCCN1CCN2C=CC=C2C(=O)O
InChI
InChI=1S/C11H16N2O3/c14-11(15)10-2-1-3-13(10)5-4-12-6-8-16-9-7-12/h1-3H,4-9H2,(H,14,15)
InChIKey
JLJLSVZPHCBNGL-UHFFFAOYSA-N
Compound name
1-(2-morpholin-4-ylethyl)pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

224.11609 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 150.2
[M+Na]+ 247.105308 155.3
[M-H]- 223.108814 152.7
[M+NH4]+ 242.149913 164.9
[M+K]+ 263.079248 154.3
[M+H-H2O]+ 207.113350 142.1
[M+HCOO]- 269.114291 166.8
[M+CH3COO]- 283.129941 184.1
[M+Na-2H]- 245.090756 152.6
[M]+ 224.11554142 147.8
[M]- 224.11663858 147.8
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