CID 14891903

Tert-butyl 3,4-diaminobenzoate

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)N)N

InChI

InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)7-4-5-8(12)9(13)6-7/h4-6H,12-13H2,1-3H3

InChIKey

PSXWMTJULZJDAI-UHFFFAOYSA-N

Compound name

tert-butyl 3,4-diaminobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 208.12119 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	209.12847	147.4
[M+Na]+	231.11041	157.0
[M+NH4]+	226.15501	154.1
[M+K]+	247.08435	153.1
[M-H]-	207.11391	148.8
[M+Na-2H]-	229.09586	152.0
[M]+	208.12064	148.9
[M]-	208.12174	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe