CID 468942

127692-31-3

Structural Information

Molecular Formula
C9H12N4O5
SMILES
C1CCC(C(C1)N2C=C(N=C2[N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C9H12N4O5/c14-7-4-2-1-3-6(7)11-5-8(12(15)16)10-9(11)13(17)18/h5-7,14H,1-4H2
InChIKey
IFUUUFPSUHAFMN-UHFFFAOYSA-N
Compound name
2-(2,4-dinitroimidazol-1-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08078 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08806 154.4
[M+Na]+ 279.07000 158.4
[M-H]- 255.07350 157.2
[M+NH4]+ 274.11460 167.1
[M+K]+ 295.04394 148.4
[M+H-H2O]+ 239.07804 155.3
[M+HCOO]- 301.07898 174.3
[M+CH3COO]- 315.09463 180.2
[M+Na-2H]- 277.05545 161.1
[M]+ 256.08023 146.8
[M]- 256.08133 146.8
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.