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]+ 227.11388 149.0
[M+Na]+ 249.09582 155.1
[M-H]- 225.09932 151.6
[M+NH4]+ 244.14042 165.7
[M+K]+ 265.06976 151.2
[M+H-H2O]+ 209.10386 145.5
[M+HCOO]- 271.10480 173.8
[M+CH3COO]- 285.12045 188.6
[M+Na-2H]- 247.08127 154.4
[M]+ 226.10605 149.9
[M]- 226.10715 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.