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

3
Patents

130.03784 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.045116 122.7
[M+Na]+ 153.027058 129.6
[M-H]- 129.030564 123.4
[M+NH4]+ 148.071663 143.6
[M+K]+ 169.000998 125.7
[M+H-H2O]+ 113.035100 122.7
[M+HCOO]- 175.036041 149.2
[M+CH3COO]- 189.051691 166.1
[M+Na-2H]- 151.012506 130.6
[M]+ 130.03729142 120.5
[M]- 130.03838858 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