CID 5044260

1,1-dinitrocyclododecane

Structural Information

Molecular Formula
C12H22N2O4
SMILES
C1CCCCCC(CCCCC1)([N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H22N2O4/c15-13(16)12(14(17)18)10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
InChIKey
GQYUALUIENRERH-UHFFFAOYSA-N
Compound name
1,1-dinitrocyclododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.15796 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 160.0
[M+Na]+ 281.147178 160.2
[M-H]- 257.150684 159.8
[M+NH4]+ 276.191783 173.0
[M+K]+ 297.121118 152.4
[M+H-H2O]+ 241.155220 166.1
[M+HCOO]- 303.156161 178.1
[M+CH3COO]- 317.171811 177.5
[M+Na-2H]- 279.132626 165.2
[M]+ 258.15741142 146.7
[M]- 258.15850858 146.7
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.