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 158.3
[M+Na]+ 297.08459 164.2
[M-H]- 273.08809 164.8
[M+NH4]+ 292.12919 171.4
[M+K]+ 313.05853 157.9
[M+H-H2O]+ 257.09263 153.9
[M+HCOO]- 319.09357 177.3
[M+CH3COO]- 333.10922 192.0
[M+Na-2H]- 295.07004 166.5
[M]+ 274.09482 154.9
[M]- 274.09592 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.