CID 11970996

85727-04-4

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1C(COCO1)C(=O)C2=CN=CC=C2
InChI
InChI=1S/C10H11NO3/c12-10(8-2-1-3-11-4-8)9-5-13-7-14-6-9/h1-4,9H,5-7H2
InChIKey
AXYFGZWOQMDXSW-UHFFFAOYSA-N
Compound name
1,3-dioxan-5-yl(pyridin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

193.0739 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 139.8
[M+Na]+ 216.063118 145.2
[M-H]- 192.066624 145.6
[M+NH4]+ 211.107723 154.4
[M+K]+ 232.037058 146.1
[M+H-H2O]+ 176.071160 131.9
[M+HCOO]- 238.072101 157.9
[M+CH3COO]- 252.087751 180.0
[M+Na-2H]- 214.048566 147.4
[M]+ 193.07335142 137.9
[M]- 193.07444858 137.9
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

patents stripe