CID 735624

4-nitrophenyl morpholine-4-carboxylate

Structural Information

Molecular Formula
C11H12N2O5
SMILES
C1COCCN1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H12N2O5/c14-11(12-5-7-17-8-6-12)18-10-3-1-9(2-4-10)13(15)16/h1-4H,5-8H2
InChIKey
JPGDRZRANAJCIM-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

252.07462 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08190 152.8
[M+Na]+ 275.06384 156.8
[M-H]- 251.06734 158.1
[M+NH4]+ 270.10844 165.5
[M+K]+ 291.03778 152.9
[M+H-H2O]+ 235.07188 148.9
[M+HCOO]- 297.07282 172.5
[M+CH3COO]- 311.08847 184.2
[M+Na-2H]- 273.04929 159.9
[M]+ 252.07407 149.5
[M]- 252.07517 149.5
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.