CID 27314

4-nitrobutanamide

Structural Information

Molecular Formula
C4H8N2O3
SMILES
C(CC(=O)N)C[N+](=O)[O-]
InChI
InChI=1S/C4H8N2O3/c5-4(7)2-1-3-6(8)9/h1-3H2,(H2,5,7)
InChIKey
CUSYXOQIPLRISK-UHFFFAOYSA-N
Compound name
4-nitrobutanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

23
Patents

132.0535 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.060776 124.0
[M+Na]+ 155.042718 130.4
[M-H]- 131.046224 124.0
[M+NH4]+ 150.087323 144.4
[M+K]+ 171.016658 126.7
[M+H-H2O]+ 115.050760 123.7
[M+HCOO]- 177.051701 149.6
[M+CH3COO]- 191.067351 167.8
[M+Na-2H]- 153.028166 130.8
[M]+ 132.05295142 121.6
[M]- 132.05404858 121.6
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