CID 4714236

4-(morpholine-4-carbonyl)benzoic acid

Structural Information

Molecular Formula
C12H13NO4
SMILES
C1COCCN1C(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H13NO4/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4H,5-8H2,(H,15,16)
InChIKey
BFTPXPCTGHARJF-UHFFFAOYSA-N
Compound name
4-(morpholine-4-carbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

235.08446 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 150.6
[M+Na]+ 258.07368 155.5
[M-H]- 234.07718 154.6
[M+NH4]+ 253.11828 164.2
[M+K]+ 274.04762 154.7
[M+H-H2O]+ 218.08172 142.8
[M+HCOO]- 280.08266 166.9
[M+CH3COO]- 294.09831 186.2
[M+Na-2H]- 256.05913 154.2
[M]+ 235.08391 147.4
[M]- 235.08501 147.4
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