CID 279256

2-nitroacetamide

Structural Information

Molecular Formula
C2H4N2O3
SMILES
C(C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C2H4N2O3/c3-2(5)1-4(6)7/h1H2,(H2,3,5)
InChIKey
QXDAKFBVTWGQHQ-UHFFFAOYSA-N
Compound name
2-nitroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

538
Patents

104.022194 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.02947 114.3
[M+Na]+ 127.01141 121.6
[M-H]- 103.01492 114.7
[M+NH4]+ 122.05602 135.9
[M+K]+ 142.98535 118.4
[M+H-H2O]+ 87.019454 114.5
[M+HCOO]- 149.02040 140.5
[M+CH3COO]- 163.03604 161.6
[M+Na-2H]- 124.99686 122.2
[M]+ 104.02165 111.2
[M]- 104.02274 111.2
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