CID 24703381

2-amino-4-(4-hydroxyphenyl)-2-methylbutanoic acid

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC(CCC1=CC=C(C=C1)O)(C(=O)O)N
InChI
InChI=1S/C11H15NO3/c1-11(12,10(14)15)7-6-8-2-4-9(13)5-3-8/h2-5,13H,6-7,12H2,1H3,(H,14,15)
InChIKey
HTCMWGAXVKSASC-UHFFFAOYSA-N
Compound name
2-amino-4-(4-hydroxyphenyl)-2-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 146.7
[M+Na]+ 232.09442 152.7
[M-H]- 208.09792 147.2
[M+NH4]+ 227.13902 163.6
[M+K]+ 248.06836 150.1
[M+H-H2O]+ 192.10246 141.3
[M+HCOO]- 254.10340 166.2
[M+CH3COO]- 268.11905 184.2
[M+Na-2H]- 230.07987 150.9
[M]+ 209.10465 144.6
[M]- 209.10575 144.6
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.