CID 5200226

2-morpholin-4-yl-3-nitrobenzoic acid

Structural Information

Molecular Formula
C11H12N2O5
SMILES
C1COCCN1C2=C(C=CC=C2[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C11H12N2O5/c14-11(15)8-2-1-3-9(13(16)17)10(8)12-4-6-18-7-5-12/h1-3H,4-7H2,(H,14,15)
InChIKey
HMDGHIWDEAZTDZ-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-3-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

252.07462 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.081896 152.2
[M+Na]+ 275.063838 156.6
[M-H]- 251.067344 156.5
[M+NH4]+ 270.108443 164.3
[M+K]+ 291.037778 151.7
[M+H-H2O]+ 235.071880 148.8
[M+HCOO]- 297.072821 170.4
[M+CH3COO]- 311.088471 184.1
[M+Na-2H]- 273.049286 158.3
[M]+ 252.07407142 147.7
[M]- 252.07516858 147.7
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

patents stripe