CID 785378

32516-00-0

Structural Information

Molecular Formula
C10H16N4O4
SMILES
CC(=O)N1CC2(CN(C1)CN(C2)C(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C10H16N4O4/c1-8(15)12-4-10(14(17)18)3-11(6-12)7-13(5-10)9(2)16/h3-7H2,1-2H3
InChIKey
CFAOURCWQMNISS-UHFFFAOYSA-N
Compound name
1-(7-acetyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.11716 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12444 154.9
[M+Na]+ 279.10638 163.9
[M+NH4]+ 274.15098 161.7
[M+K]+ 295.08032 161.5
[M-H]- 255.10988 153.6
[M+Na-2H]- 277.09183 156.1
[M]+ 256.11661 155.3
[M]- 256.11771 155.3
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