CID 93412

Am 1 (pharmaceutical)

Structural Information

Molecular Formula
C8H13N3O4
SMILES
CC1=NC(=CN1CC(COC)O)[N+](=O)[O-]
InChI
InChI=1S/C8H13N3O4/c1-6-9-8(11(13)14)4-10(6)3-7(12)5-15-2/h4,7,12H,3,5H2,1-2H3
InChIKey
JXMRDOOWRDWKJG-UHFFFAOYSA-N
Compound name
1-methoxy-3-(2-methyl-4-nitroimidazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.0906 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09788 144.7
[M+Na]+ 238.07982 152.1
[M-H]- 214.08332 145.0
[M+NH4]+ 233.12442 161.1
[M+K]+ 254.05376 147.3
[M+H-H2O]+ 198.08786 142.4
[M+HCOO]- 260.08880 166.9
[M+CH3COO]- 274.10445 179.4
[M+Na-2H]- 236.06527 149.9
[M]+ 215.09005 145.5
[M]- 215.09115 145.5
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

No patent data available for this compound.