CID 2760930

Tert-butyl 2-(4-aminophenyl)acetate

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC(C)(C)OC(=O)CC1=CC=C(C=C1)N
InChI
InChI=1S/C12H17NO2/c1-12(2,3)15-11(14)8-9-4-6-10(13)7-5-9/h4-7H,8,13H2,1-3H3
InChIKey
OOPUFXZJWLZPLC-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-aminophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

207.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 147.7
[M+Na]+ 230.115148 154.5
[M-H]- 206.118654 151.0
[M+NH4]+ 225.159753 166.5
[M+K]+ 246.089088 152.9
[M+H-H2O]+ 190.123190 142.0
[M+HCOO]- 252.124131 169.8
[M+CH3COO]- 266.139781 188.7
[M+Na-2H]- 228.100596 152.3
[M]+ 207.12538142 148.3
[M]- 207.12647858 148.3
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