CID 11105771

56910-52-2

Structural Information

Molecular Formula
C6H7N3O3
SMILES
CC1=NC=C(N1CC=O)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h3-4H,2H2,1H3
InChIKey
VMQIQVQPOCEYKO-UHFFFAOYSA-N
Compound name
2-(2-methyl-5-nitroimidazol-1-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

169.04874 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.056016 131.5
[M+Na]+ 192.037958 141.0
[M-H]- 168.041464 133.5
[M+NH4]+ 187.082563 150.6
[M+K]+ 208.011898 136.0
[M+H-H2O]+ 152.046000 129.5
[M+HCOO]- 214.046941 156.8
[M+CH3COO]- 228.062591 172.3
[M+Na-2H]- 190.023406 139.2
[M]+ 169.04819142 132.1
[M]- 169.04928858 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe