CID 19577452

4-[(n,n-dimethylglycyl)amino]benzoic acid hydrochloride

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CN(C)CC(=O)NC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C11H14N2O3/c1-13(2)7-10(14)12-9-5-3-8(4-6-9)11(15)16/h3-6H,7H2,1-2H3,(H,12,14)(H,15,16)
InChIKey
RDFYSFAVDYSXMN-UHFFFAOYSA-N
Compound name
4-[[2-(dimethylamino)acetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

222.10045 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 149.0
[M+Na]+ 245.08967 154.4
[M-H]- 221.09317 152.7
[M+NH4]+ 240.13427 166.4
[M+K]+ 261.06361 153.9
[M+H-H2O]+ 205.09771 142.2
[M+HCOO]- 267.09865 173.0
[M+CH3COO]- 281.11430 194.8
[M+Na-2H]- 243.07512 152.3
[M]+ 222.09990 149.4
[M]- 222.10100 149.4
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