CID 14948532

2-nitroacetaldehyde

Structural Information

Molecular Formula
C2H3NO3
SMILES
C(C=O)[N+](=O)[O-]
InChI
InChI=1S/C2H3NO3/c4-2-1-3(5)6/h2H,1H2
InChIKey
NMDSXWUKWSSJHD-UHFFFAOYSA-N
Compound name
2-nitroacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

89.01129 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.018566 110.9
[M+Na]+ 112.000508 119.4
[M-H]- 88.004014 112.0
[M+NH4]+ 107.045113 133.9
[M+K]+ 127.974448 116.3
[M+H-H2O]+ 72.008550 111.7
[M+HCOO]- 134.009491 137.9
[M+CH3COO]- 148.025141 157.1
[M+Na-2H]- 109.985956 120.9
[M]+ 89.01074142 110.5
[M]- 89.01183858 110.5
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