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 156.8
[M+Na]+ 251.10023 164.5
[M+NH4]+ 246.14483 167.0
[M+K]+ 267.07417 164.3
[M-H]- 227.10373 160.7
[M+Na-2H]- 249.08568 162.2
[M]+ 228.11046 158.7
[M]- 228.11156 158.7
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.