CID 3248693

5006-68-8

Structural Information

Molecular Formula
C5H7N3O3
SMILES
C1=C(N(C=N1)CCO)[N+](=O)[O-]
InChI
InChI=1S/C5H7N3O3/c9-2-1-7-4-6-3-5(7)8(10)11/h3-4,9H,1-2H2
InChIKey
DFMZECOLZRIPOT-UHFFFAOYSA-N
Compound name
2-(5-nitroimidazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

157.04874 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.056016 128.2
[M+Na]+ 180.037958 136.4
[M-H]- 156.041464 128.5
[M+NH4]+ 175.082563 146.8
[M+K]+ 196.011898 131.4
[M+H-H2O]+ 140.046000 126.2
[M+HCOO]- 202.046941 152.2
[M+CH3COO]- 216.062591 166.4
[M+Na-2H]- 178.023406 136.6
[M]+ 157.04819142 126.9
[M]- 157.04928858 126.9
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