CID 38045

38464-22-1

Structural Information

Molecular Formula
C14H14N2O4
SMILES
C1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]
InChI
InChI=1S/C14H14N2O4/c17-14-13(16(18)19)12(15-8-4-1-5-9-15)10-6-2-3-7-11(10)20-14/h2-3,6-7H,1,4-5,8-9H2
InChIKey
DMELURZBMAWHKC-UHFFFAOYSA-N
Compound name
3-nitro-4-piperidin-1-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

274.09537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10265 157.5
[M+Na]+ 297.08459 172.4
[M+NH4]+ 292.12919 165.6
[M+K]+ 313.05853 168.4
[M-H]- 273.08809 164.0
[M+Na-2H]- 295.07004 164.1
[M]+ 274.09482 161.3
[M]- 274.09592 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.