CID 345278

4-(morpholin-4-yl)benzoic acid

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1COCCN1C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H13NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14)
InChIKey
XVAJKPNTGSKZSQ-UHFFFAOYSA-N
Compound name
4-morpholin-4-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

849
Patents

207.08954 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.3
[M+Na]+ 230.07876 149.5
[M-H]- 206.08226 148.3
[M+NH4]+ 225.12336 159.2
[M+K]+ 246.05270 148.4
[M+H-H2O]+ 190.08680 136.6
[M+HCOO]- 252.08774 161.4
[M+CH3COO]- 266.10339 181.4
[M+Na-2H]- 228.06421 149.4
[M]+ 207.08899 140.6
[M]- 207.09009 140.6
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.