CID 25816

13268-96-7

Structural Information

Molecular Formula
C11H13N3O6
SMILES
CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)N
InChI
InChI=1S/C11H13N3O6/c1-11(2,3)7-4-6(13(16)17)5-8(14(18)19)9(7)20-10(12)15/h4-5H,1-3H3,(H2,12,15)
InChIKey
WSEKTAKGWNNHMA-UHFFFAOYSA-N
Compound name
(2-tert-butyl-4,6-dinitrophenyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08044 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08772 158.8
[M+Na]+ 306.06966 164.5
[M-H]- 282.07316 162.5
[M+NH4]+ 301.11426 183.6
[M+K]+ 322.04360 155.7
[M+H-H2O]+ 266.07770 161.6
[M+HCOO]- 328.07864 196.6
[M+CH3COO]- 342.09429 190.7
[M+Na-2H]- 304.05511 166.5
[M]+ 283.07989 156.6
[M]- 283.08099 156.6
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

No patent data available for this compound.