CID 487211

Pentanal, 2-[[(3-pyridinylcarbonyl)oxy]amino]-

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CCCC(C=O)NOC(=O)C1=CN=CC=C1
InChI
InChI=1S/C11H14N2O3/c1-2-4-10(8-14)13-16-11(15)9-5-3-6-12-7-9/h3,5-8,10,13H,2,4H2,1H3
InChIKey
CPWMLYGFXKSFRR-UHFFFAOYSA-N
Compound name
(1-oxopentan-2-ylamino) pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 149.1
[M+Na]+ 245.08967 154.7
[M-H]- 221.09317 150.9
[M+NH4]+ 240.13427 165.3
[M+K]+ 261.06361 153.5
[M+H-H2O]+ 205.09771 141.4
[M+HCOO]- 267.09865 171.9
[M+CH3COO]- 281.11430 190.2
[M+Na-2H]- 243.07512 154.2
[M]+ 222.09990 151.0
[M]- 222.10100 151.0
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.