CID 56841705

Nibtn

Structural Information

Molecular Formula
C4H7N4O11
SMILES
C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])[N+](=O)[O-])O[N+](=O)O
InChI
InChI=1S/C4H7N4O11/c9-5(10)4(1-17-6(11)12,2-18-7(13)14)3-19-8(15)16/h1-3H2,(H,11,12)/q+1
InChIKey
FPYYRAGXJPZCBM-UHFFFAOYSA-N
Compound name
hydroxy-[2-nitro-3-nitrooxy-2-(nitrooxymethyl)propoxy]-oxoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

287.01114 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.01842 195.3
[M+Na]+ 310.00036 199.6
[M-H]- 286.00386 204.1
[M+NH4]+ 305.04496 204.0
[M+K]+ 325.97430 193.6
[M+H-H2O]+ 270.00840 171.0
[M+HCOO]- 332.00934 209.4
[M+CH3COO]- 346.02499 178.7
[M+Na-2H]- 307.98581 190.7
[M]+ 287.01059 184.7
[M]- 287.01169 184.7
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.