CID 89880

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

Structural Information

Molecular Formula
C8H13N3O3
SMILES
CCCC1=CN=C(N1CCO)[N+](=O)[O-]
InChI
InChI=1S/C8H13N3O3/c1-2-3-7-6-9-8(11(13)14)10(7)4-5-12/h6,12H,2-5H2,1H3
InChIKey
GWZPIQCXKKBYAW-UHFFFAOYSA-N
Compound name
2-(2-nitro-5-propylimidazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.09569 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10297 142.3
[M+Na]+ 222.08491 150.1
[M-H]- 198.08841 142.4
[M+NH4]+ 217.12951 159.5
[M+K]+ 238.05885 144.3
[M+H-H2O]+ 182.09295 140.0
[M+HCOO]- 244.09389 165.2
[M+CH3COO]- 258.10954 176.6
[M+Na-2H]- 220.07036 148.4
[M]+ 199.09514 142.4
[M]- 199.09624 142.4
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

patents stripe