CID 43548276

Tert-butyl n-(6-amino-2h-1,3-benzodioxol-5-yl)carbamate

Structural Information

Molecular Formula
C12H16N2O4
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(C=C1N)OCO2
InChI
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(15)14-8-5-10-9(4-7(8)13)16-6-17-10/h4-5H,6,13H2,1-3H3,(H,14,15)
InChIKey
RGBJMHUSYDTWKE-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-amino-1,3-benzodioxol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11829 156.3
[M+Na]+ 275.10023 164.7
[M+NH4]+ 270.14483 162.6
[M+K]+ 291.07417 164.0
[M-H]- 251.10373 159.5
[M+Na-2H]- 273.08568 158.0
[M]+ 252.11046 158.1
[M]- 252.11156 158.1
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.