CID 70700465

N-(2-nitroethenyl)acetamide

Structural Information

Molecular Formula
C4H6N2O3
SMILES
CC(=O)NC=C[N+](=O)[O-]
InChI
InChI=1S/C4H6N2O3/c1-4(7)5-2-3-6(8)9/h2-3H,1H3,(H,5,7)
InChIKey
NVGBTRNGCZQAOH-UHFFFAOYSA-N
Compound name
N-(2-nitroethenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

130.03784 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.04512 122.7
[M+Na]+ 153.02706 129.6
[M-H]- 129.03056 123.4
[M+NH4]+ 148.07166 143.6
[M+K]+ 169.00100 125.7
[M+H-H2O]+ 113.03510 122.7
[M+HCOO]- 175.03604 149.2
[M+CH3COO]- 189.05169 166.1
[M+Na-2H]- 151.01251 130.6
[M]+ 130.03729 120.5
[M]- 130.03839 120.5
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

patents stripe