CID 3044895

Brn 1144510

Structural Information

Molecular Formula
C9H9N5O3
SMILES
C1C(CN2C(=CN=C2C3=NC=CN31)[N+](=O)[O-])O
InChI
InChI=1S/C9H9N5O3/c15-6-4-12-2-1-10-8(12)9-11-3-7(14(16)17)13(9)5-6/h1-3,6,15H,4-5H2
InChIKey
JNVIHGOOZDAWPE-UHFFFAOYSA-N
Compound name
5-nitro-3,6,10,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2,4,11-tetraen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.07054 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07782 147.8
[M+Na]+ 258.05976 157.9
[M+NH4]+ 253.10436 153.6
[M+K]+ 274.03370 160.8
[M-H]- 234.06326 147.7
[M+Na-2H]- 256.04521 150.8
[M]+ 235.06999 148.9
[M]- 235.07109 148.9
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

No patent data available for this compound.