CID 2737408

Tert-butyl 3-aminobenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

361
Patents

193.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.0
[M+Na]+ 216.09950 150.3
[M-H]- 192.10300 146.5
[M+NH4]+ 211.14410 162.4
[M+K]+ 232.07344 148.9
[M+H-H2O]+ 176.10754 137.5
[M+HCOO]- 238.10848 165.5
[M+CH3COO]- 252.12413 185.7
[M+Na-2H]- 214.08495 148.2
[M]+ 193.10973 143.2
[M]- 193.11083 143.2
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