CID 163333338

1701411-73-5

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CC(C)(C)OC(=O)NCCCC1=CC(=CN=C1)C(=O)O
InChI
InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-6-4-5-10-7-11(12(17)18)9-15-8-10/h7-9H,4-6H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
XIMYPNGMOLYIHZ-UHFFFAOYSA-N
Compound name
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 165.9
[M+Na]+ 303.13152 171.2
[M-H]- 279.13502 166.6
[M+NH4]+ 298.17612 179.6
[M+K]+ 319.10546 169.6
[M+H-H2O]+ 263.13956 158.8
[M+HCOO]- 325.14050 184.8
[M+CH3COO]- 339.15615 199.1
[M+Na-2H]- 301.11697 169.3
[M]+ 280.14175 168.3
[M]- 280.14285 168.3
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.