CID 177787202

2387226-80-2

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₄

SMILES

CC(C)(C)OC(=O)NC1CCC2=C1N=CC(=C2)C(=O)O

InChI

InChI=1S/C14H18N2O4/c1-14(2,3)20-13(19)16-10-5-4-8-6-9(12(17)18)7-15-11(8)10/h6-7,10H,4-5H2,1-3H3,(H,16,19)(H,17,18)

InChIKey

RZCMMIJRWSKPCR-UHFFFAOYSA-N

Compound name

7-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.12665 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	279.133926	163.8
[M+Na]+	301.115868	170.0
[M-H]-	277.119374	165.7
[M+NH4]+	296.160473	180.5
[M+K]+	317.089808	168.2
[M+H-H2O]+	261.123910	157.8
[M+HCOO]-	323.124851	181.7
[M+CH3COO]-	337.140501	198.3
[M+Na-2H]-	299.101316	166.6
[M]+	278.12610142	164.6
[M]-	278.12719858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.