CID 2795549

3-(morpholin-4-yl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

347
Patents

207.08954 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 144.3
[M+Na]+ 230.078758 149.5
[M-H]- 206.082264 148.3
[M+NH4]+ 225.123363 159.2
[M+K]+ 246.052698 148.4
[M+H-H2O]+ 190.086800 136.6
[M+HCOO]- 252.087741 161.4
[M+CH3COO]- 266.103391 181.4
[M+Na-2H]- 228.064206 149.4
[M]+ 207.08899142 140.6
[M]- 207.09008858 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

literature stripe

Patent stripe

patents stripe