CID 122156946

3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropanoic acid hydrochloride

Structural Information

Molecular Formula
C11H13Cl2NO2
SMILES
CC(C)(C(C1=CC(=CC(=C1)Cl)Cl)N)C(=O)O
InChI
InChI=1S/C11H13Cl2NO2/c1-11(2,10(15)16)9(14)6-3-7(12)5-8(13)4-6/h3-5,9H,14H2,1-2H3,(H,15,16)
InChIKey
TYQJZQYNBISFNU-UHFFFAOYSA-N
Compound name
3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.03235 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03963 155.7
[M+Na]+ 284.02157 167.3
[M+NH4]+ 279.06617 163.0
[M+K]+ 299.99551 162.2
[M-H]- 260.02507 156.2
[M+Na-2H]- 282.00702 160.3
[M]+ 261.03180 157.9
[M]- 261.03290 157.9
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.