CID 23450354

1913300-45-4

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(C)(C)OC(=O)C1=C(C(=CC=C1)N)N
InChI
InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)7-5-4-6-8(12)9(7)13/h4-6H,12-13H2,1-3H3
InChIKey
QORVECHDYFEJEO-UHFFFAOYSA-N
Compound name
tert-butyl 2,3-diaminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

208.12119 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.4
[M+Na]+ 231.11041 154.6
[M-H]- 207.11391 150.7
[M+NH4]+ 226.15501 165.8
[M+K]+ 247.08435 153.0
[M+H-H2O]+ 191.11845 141.6
[M+HCOO]- 253.11939 170.2
[M+CH3COO]- 267.13504 191.4
[M+Na-2H]- 229.09586 151.0
[M]+ 208.12064 146.1
[M]- 208.12174 146.1
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

No patent data available for this compound.