CID 3009121

1-[[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-methyl-5-nitro-imidazole

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CC1=NC=C(N1C[C@H]2COC(O2)(C)C)[N+](=O)[O-]
InChI
InChI=1S/C10H15N3O4/c1-7-11-4-9(13(14)15)12(7)5-8-6-16-10(2,3)17-8/h4,8H,5-6H2,1-3H3/t8-/m0/s1
InChIKey
VRXSFTSKUVNICD-QMMMGPOBSA-N
Compound name
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-methyl-5-nitroimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.10626 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 150.7
[M+Na]+ 264.09548 158.6
[M-H]- 240.09898 156.8
[M+NH4]+ 259.14008 167.7
[M+K]+ 280.06942 155.6
[M+H-H2O]+ 224.10352 149.4
[M+HCOO]- 286.10446 171.9
[M+CH3COO]- 300.12011 185.2
[M+Na-2H]- 262.08093 156.9
[M]+ 241.10571 152.0
[M]- 241.10681 152.0
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.