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

literature stripe

Patent stripe

patents stripe