CID 584407

1229705-35-4

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC(C)(C1=CC=C(C=C1)N)C(=O)OC
InChI
InChI=1S/C11H15NO2/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8/h4-7H,12H2,1-3H3
InChIKey
VQEFHQYENHWZHN-UHFFFAOYSA-N
Compound name
methyl 2-(4-aminophenyl)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

193.11028 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 142.8
[M+Na]+ 216.09950 149.9
[M-H]- 192.10300 146.3
[M+NH4]+ 211.14410 162.1
[M+K]+ 232.07344 148.5
[M+H-H2O]+ 176.10754 137.2
[M+HCOO]- 238.10848 165.2
[M+CH3COO]- 252.12413 186.3
[M+Na-2H]- 214.08495 148.0
[M]+ 193.10973 143.0
[M]- 193.11083 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe