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

2
Patents

252.07462 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08190 152.2
[M+Na]+ 275.06384 156.6
[M-H]- 251.06734 156.5
[M+NH4]+ 270.10844 164.3
[M+K]+ 291.03778 151.7
[M+H-H2O]+ 235.07188 148.8
[M+HCOO]- 297.07282 170.4
[M+CH3COO]- 311.08847 184.1
[M+Na-2H]- 273.04929 158.3
[M]+ 252.07407 147.7
[M]- 252.07517 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