CID 29555

Bis(4-aminophenyl) carbonate

Structural Information

Molecular Formula
C13H12N2O3
SMILES
C1=CC(=CC=C1N)OC(=O)OC2=CC=C(C=C2)N
InChI
InChI=1S/C13H12N2O3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H,14-15H2
InChIKey
JBBBDGJYVDMMMN-UHFFFAOYSA-N
Compound name
bis(4-aminophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

244.0848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.092076 152.9
[M+Na]+ 267.074018 160.0
[M-H]- 243.077524 159.2
[M+NH4]+ 262.118623 169.1
[M+K]+ 283.047958 157.3
[M+H-H2O]+ 227.082060 145.1
[M+HCOO]- 289.083001 178.3
[M+CH3COO]- 303.098651 195.1
[M+Na-2H]- 265.059466 157.6
[M]+ 244.08425142 151.8
[M]- 244.08534858 151.8
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

patents stripe