CID 211782

Imidazole-1-ethanol, 5-isopropyl-2-nitro-

Structural Information

Molecular Formula
C8H13N3O3
SMILES
CC(C)C1=CN=C(N1CCO)[N+](=O)[O-]
InChI
InChI=1S/C8H13N3O3/c1-6(2)7-5-9-8(11(13)14)10(7)3-4-12/h5-6,12H,3-4H2,1-2H3
InChIKey
UYZRJCZRDPQGJF-UHFFFAOYSA-N
Compound name
2-(2-nitro-5-propan-2-ylimidazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.09569 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10297 142.0
[M+Na]+ 222.08491 149.6
[M-H]- 198.08841 142.3
[M+NH4]+ 217.12951 159.2
[M+K]+ 238.05885 144.3
[M+H-H2O]+ 182.09295 139.9
[M+HCOO]- 244.09389 164.0
[M+CH3COO]- 258.10954 177.3
[M+Na-2H]- 220.07036 147.1
[M]+ 199.09514 141.5
[M]- 199.09624 141.5
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.