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]+ 275.102646 158.3
[M+Na]+ 297.084588 164.2
[M-H]- 273.088094 164.8
[M+NH4]+ 292.129193 171.4
[M+K]+ 313.058528 157.9
[M+H-H2O]+ 257.092630 153.9
[M+HCOO]- 319.093571 177.3
[M+CH3COO]- 333.109221 192.0
[M+Na-2H]- 295.070036 166.5
[M]+ 274.09482142 154.9
[M]- 274.09591858 154.9
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.