CID 53737330

3-amino-3-methyl-2-phenylbutanoic acid hydrochloride

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC(C)(C(C1=CC=CC=C1)C(=O)O)N
InChI
InChI=1S/C11H15NO2/c1-11(2,12)9(10(13)14)8-6-4-3-5-7-8/h3-7,9H,12H2,1-2H3,(H,13,14)
InChIKey
CSCRCVUJOQDLFJ-UHFFFAOYSA-N
Compound name
3-amino-3-methyl-2-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

193.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.6
[M+Na]+ 216.09950 149.0
[M-H]- 192.10300 145.2
[M+NH4]+ 211.14410 161.6
[M+K]+ 232.07344 147.1
[M+H-H2O]+ 176.10754 138.1
[M+HCOO]- 238.10848 163.4
[M+CH3COO]- 252.12413 184.2
[M+Na-2H]- 214.08495 147.6
[M]+ 193.10973 140.9
[M]- 193.11083 140.9
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

patents stripe