CID 43592979

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

Structural Information

Molecular Formula
C13H17NO3
SMILES
CC1(CN(CCO1)C2=CC=C(C=C2)C(=O)O)C
InChI
InChI=1S/C13H17NO3/c1-13(2)9-14(7-8-17-13)11-5-3-10(4-6-11)12(15)16/h3-6H,7-9H2,1-2H3,(H,15,16)
InChIKey
GXMKLRDBIFNFHA-UHFFFAOYSA-N
Compound name
4-(2,2-dimethylmorpholin-4-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 152.7
[M+Na]+ 258.11007 159.1
[M-H]- 234.11357 157.2
[M+NH4]+ 253.15467 169.0
[M+K]+ 274.08401 158.0
[M+H-H2O]+ 218.11811 145.7
[M+HCOO]- 280.11905 169.3
[M+CH3COO]- 294.13470 188.2
[M+Na-2H]- 256.09552 157.4
[M]+ 235.12030 150.6
[M]- 235.12140 150.6
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.