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

2
Patents

209.1052 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 146.7
[M+Na]+ 232.094418 152.7
[M-H]- 208.097924 147.2
[M+NH4]+ 227.139023 163.6
[M+K]+ 248.068358 150.1
[M+H-H2O]+ 192.102460 141.3
[M+HCOO]- 254.103401 166.2
[M+CH3COO]- 268.119051 184.2
[M+Na-2H]- 230.079866 150.9
[M]+ 209.10465142 144.6
[M]- 209.10574858 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

patents stripe