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 153.8
[M+Na]+ 284.02157 162.2
[M-H]- 260.02507 155.5
[M+NH4]+ 279.06617 171.0
[M+K]+ 299.99551 157.0
[M+H-H2O]+ 244.02961 150.5
[M+HCOO]- 306.03055 164.2
[M+CH3COO]- 320.04620 195.0
[M+Na-2H]- 282.00702 155.5
[M]+ 261.03180 155.3
[M]- 261.03290 155.3
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

No patent data available for this compound.