CID 3060779

2-(dimethylamino)ethyl p-aminosalicylate

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CN(C)CCOC(=O)C1=C(C=C(C=C1)N)O
InChI
InChI=1S/C11H16N2O3/c1-13(2)5-6-16-11(15)9-4-3-8(12)7-10(9)14/h3-4,7,14H,5-6,12H2,1-2H3
InChIKey
BVSFSNFSSNBBRH-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 4-amino-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.11609 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 150.2
[M+Na]+ 247.105308 156.5
[M-H]- 223.108814 153.6
[M+NH4]+ 242.149913 167.8
[M+K]+ 263.079248 155.8
[M+H-H2O]+ 207.113350 143.4
[M+HCOO]- 269.114291 174.4
[M+CH3COO]- 283.129941 195.4
[M+Na-2H]- 245.090756 152.9
[M]+ 224.11554142 151.3
[M]- 224.11663858 151.3
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