CID 53722

77694-36-1

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CC1(CC(C(=O)O1)NC(=O)C2=CC=NC=C2)C
InChI
InChI=1S/C12H14N2O3/c1-12(2)7-9(11(16)17-12)14-10(15)8-3-5-13-6-4-8/h3-6,9H,7H2,1-2H3,(H,14,15)
InChIKey
OHAKBSQJLKNLOY-UHFFFAOYSA-N
Compound name
N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 150.1
[M+Na]+ 257.08967 157.7
[M-H]- 233.09317 156.5
[M+NH4]+ 252.13427 168.7
[M+K]+ 273.06361 156.8
[M+H-H2O]+ 217.09771 143.5
[M+HCOO]- 279.09865 172.0
[M+CH3COO]- 293.11430 190.7
[M+Na-2H]- 255.07512 154.8
[M]+ 234.09990 150.2
[M]- 234.10100 150.2
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.