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]+ 229.11829 156.7
[M+Na]+ 251.10023 159.3
[M-H]- 227.10373 162.2
[M+NH4]+ 246.14483 178.4
[M+K]+ 267.07417 150.6
[M+H-H2O]+ 211.10827 160.8
[M+HCOO]- 273.10921 179.1
[M+CH3COO]- 287.12486 175.5
[M+Na-2H]- 249.08568 163.2
[M]+ 228.11046 148.2
[M]- 228.11156 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.