CID 177787202

7-{[(tert-butoxy)carbonyl]amino}-5h,6h,7h-cyclopenta[b]pyridine-3-carboxylic acid

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 163.8
[M+Na]+ 301.11587 170.0
[M-H]- 277.11937 165.7
[M+NH4]+ 296.16047 180.5
[M+K]+ 317.08981 168.2
[M+H-H2O]+ 261.12391 157.8
[M+HCOO]- 323.12485 181.7
[M+CH3COO]- 337.14050 198.3
[M+Na-2H]- 299.10132 166.6
[M]+ 278.12610 164.6
[M]- 278.12720 164.6
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.