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

49
Patents

244.0848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 152.9
[M+Na]+ 267.07402 160.0
[M-H]- 243.07752 159.2
[M+NH4]+ 262.11862 169.1
[M+K]+ 283.04796 157.3
[M+H-H2O]+ 227.08206 145.1
[M+HCOO]- 289.08300 178.3
[M+CH3COO]- 303.09865 195.1
[M+Na-2H]- 265.05947 157.6
[M]+ 244.08425 151.8
[M]- 244.08535 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