CID 5075924

1,1-dinitrocyclopentane

Structural Information

Molecular Formula
C5H8N2O4
SMILES
C1CCC(C1)([N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C5H8N2O4/c8-6(9)5(7(10)11)3-1-2-4-5/h1-4H2
InChIKey
OSAAJBSHBVDIJE-UHFFFAOYSA-N
Compound name
1,1-dinitrocyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

160.0484 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05568 134.0
[M+Na]+ 183.03762 139.2
[M-H]- 159.04112 137.3
[M+NH4]+ 178.08222 155.6
[M+K]+ 199.01156 131.5
[M+H-H2O]+ 143.04566 138.6
[M+HCOO]- 205.04660 159.0
[M+CH3COO]- 219.06225 164.1
[M+Na-2H]- 181.02307 143.1
[M]+ 160.04785 128.0
[M]- 160.04895 128.0
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

patents stripe