CID 22494686

4-(2,6-dimethylmorpholin-4-yl)benzoic acid

Structural Information

Molecular Formula
C13H17NO3
SMILES
CC1CN(CC(O1)C)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C13H17NO3/c1-9-7-14(8-10(2)17-9)12-5-3-11(4-6-12)13(15)16/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)
InChIKey
OTRDBTJTZUXOKP-UHFFFAOYSA-N
Compound name
4-(2,6-dimethylmorpholin-4-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

235.12085 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 153.2
[M+Na]+ 258.11007 159.6
[M-H]- 234.11357 157.7
[M+NH4]+ 253.15467 167.7
[M+K]+ 274.08401 158.1
[M+H-H2O]+ 218.11811 145.7
[M+HCOO]- 280.11905 169.7
[M+CH3COO]- 294.13470 189.9
[M+Na-2H]- 256.09552 155.9
[M]+ 235.12030 151.2
[M]- 235.12140 151.2
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