CID 43548276

1154989-54-4

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 156.8
[M+Na]+ 275.10023 163.7
[M-H]- 251.10373 162.4
[M+NH4]+ 270.14483 173.6
[M+K]+ 291.07417 164.6
[M+H-H2O]+ 235.10827 151.3
[M+HCOO]- 297.10921 177.5
[M+CH3COO]- 311.12486 197.0
[M+Na-2H]- 273.08568 163.2
[M]+ 252.11046 159.1
[M]- 252.11156 159.1
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.