CID 132389818

2172563-13-0

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CC(C)(C)OC(=O)NCC1(CCC1)C2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H22N2O4/c1-15(2,3)22-14(21)18-10-16(7-4-8-16)12-6-5-11(9-17-12)13(19)20/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,21)(H,19,20)
InChIKey
MXIYQYHVNMAYFF-UHFFFAOYSA-N
Compound name
6-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15796 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16524 176.0
[M+Na]+ 329.14718 179.7
[M+NH4]+ 324.19178 178.0
[M+K]+ 345.12112 176.4
[M-H]- 305.15068 173.2
[M+Na-2H]- 327.13263 178.4
[M]+ 306.15741 174.3
[M]- 306.15851 174.3
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.