CID 33698515

3-(4-aminophenyl)-3-methylbutanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

193.11028 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 143.2
[M+Na]+ 216.099498 149.8
[M-H]- 192.103004 145.1
[M+NH4]+ 211.144103 161.6
[M+K]+ 232.073438 147.5
[M+H-H2O]+ 176.107540 137.8
[M+HCOO]- 238.108481 164.0
[M+CH3COO]- 252.124131 184.5
[M+Na-2H]- 214.084946 147.8
[M]+ 193.10973142 141.6
[M]- 193.11082858 141.6
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