CID 20992475

5-chloro-2-[2-(dimethylamino)ethoxy]benzoic acid hydrochloride

Structural Information

Molecular Formula
C11H14ClNO3
SMILES
CN(C)CCOC1=C(C=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C11H14ClNO3/c1-13(2)5-6-16-10-4-3-8(12)7-9(10)11(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKey
NIQBWPASODRYKV-UHFFFAOYSA-N
Compound name
5-chloro-2-[2-(dimethylamino)ethoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.06622 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07350 150.7
[M+Na]+ 266.05544 158.7
[M-H]- 242.05894 154.6
[M+NH4]+ 261.10004 169.0
[M+K]+ 282.02938 156.2
[M+H-H2O]+ 226.06348 145.4
[M+HCOO]- 288.06442 170.0
[M+CH3COO]- 302.08007 195.3
[M+Na-2H]- 264.04089 153.9
[M]+ 243.06567 155.8
[M]- 243.06677 155.8
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.