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]+ 307.165236 176.3
[M+Na]+ 329.147178 179.2
[M-H]- 305.150684 179.6
[M+NH4]+ 324.191783 183.9
[M+K]+ 345.121118 180.9
[M+H-H2O]+ 289.155220 163.8
[M+HCOO]- 351.156161 192.3
[M+CH3COO]- 365.171811 205.6
[M+Na-2H]- 327.132626 178.8
[M]+ 306.15741142 185.1
[M]- 306.15850858 185.1
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.