CID 392324

1,1'-dinitrodicyclopentyl

Structural Information

Molecular Formula
C10H16N2O4
SMILES
C1CCC(C1)(C2(CCCC2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H16N2O4/c13-11(14)9(5-1-2-6-9)10(12(15)16)7-3-4-8-10/h1-8H2
InChIKey
RQLQCUSIOMTSSH-UHFFFAOYSA-N
Compound name
1-nitro-1-(1-nitrocyclopentyl)cyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.11101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.118286 156.7
[M+Na]+ 251.100228 159.3
[M-H]- 227.103734 162.2
[M+NH4]+ 246.144833 178.4
[M+K]+ 267.074168 150.6
[M+H-H2O]+ 211.108270 160.8
[M+HCOO]- 273.109211 179.1
[M+CH3COO]- 287.124861 175.5
[M+Na-2H]- 249.085676 163.2
[M]+ 228.11046142 148.2
[M]- 228.11155858 148.2
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.