CID 211217

Brn 0618321

Structural Information

Molecular Formula
C9H14N4O3
SMILES
CN(C)C(=O)CCCN1C=CN=C1[N+](=O)[O-]
InChI
InChI=1S/C9H14N4O3/c1-11(2)8(14)4-3-6-12-7-5-10-9(12)13(15)16/h5,7H,3-4,6H2,1-2H3
InChIKey
GFAGXHPEIBQWEX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(2-nitroimidazol-1-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.1066 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.113876 149.0
[M+Na]+ 249.095818 155.1
[M-H]- 225.099324 151.6
[M+NH4]+ 244.140423 165.7
[M+K]+ 265.069758 151.2
[M+H-H2O]+ 209.103860 145.5
[M+HCOO]- 271.104801 173.8
[M+CH3COO]- 285.120451 188.6
[M+Na-2H]- 247.081266 154.4
[M]+ 226.10605142 149.9
[M]- 226.10714858 149.9
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

No patent data available for this compound.