CID 279815

17508-16-6

Structural Information

Molecular Formula
C11H13N3O7
SMILES
CC(C)(C)OC(=O)NOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C11H13N3O7/c1-11(2,3)20-10(15)12-21-9-5-4-7(13(16)17)6-8(9)14(18)19/h4-6H,1-3H3,(H,12,15)
InChIKey
DTYVDGWQRMBFGP-UHFFFAOYSA-N
Compound name
tert-butyl N-(2,4-dinitrophenoxy)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

299.07535 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08263 161.8
[M+Na]+ 322.06457 166.4
[M-H]- 298.06807 165.7
[M+NH4]+ 317.10917 188.3
[M+K]+ 338.03851 158.4
[M+H-H2O]+ 282.07261 164.0
[M+HCOO]- 344.07355 200.4
[M+CH3COO]- 358.08920 191.7
[M+Na-2H]- 320.05002 171.4
[M]+ 299.07480 161.4
[M]- 299.07590 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe