CID 71758242

1432678-21-1

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CC(C)(C)OC(=O)NCC1=NC(=C(C=C1)C(=O)O)C2CC2
InChI
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)16-8-10-6-7-11(13(18)19)12(17-10)9-4-5-9/h6-7,9H,4-5,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKey
IDQGJMNWOYQCGQ-UHFFFAOYSA-N
Compound name
2-cyclopropyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14958 169.2
[M+Na]+ 315.13152 179.6
[M+NH4]+ 310.17612 174.7
[M+K]+ 331.10546 177.7
[M-H]- 291.13502 176.2
[M+Na-2H]- 313.11697 175.5
[M]+ 292.14175 173.5
[M]- 292.14285 173.5
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.