CID 77197

Nitroethylene

Structural Information

Molecular Formula
C2H3NO2
SMILES
C=C[N+](=O)[O-]
InChI
InChI=1S/C2H3NO2/c1-2-3(4)5/h2H,1H2
InChIKey
RPMXALUWKZHYOV-UHFFFAOYSA-N
Compound name
1-nitroethene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

3548
Patents

73.01638 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 74.023656 107.9
[M+Na]+ 96.005598 116.5
[M-H]- 72.009104 109.0
[M+NH4]+ 91.050203 131.6
[M+K]+ 111.97954 113.0
[M+H-H2O]+ 56.013640 109.0
[M+HCOO]- 118.01458 134.6
[M+CH3COO]- 132.03023 155.2
[M+Na-2H]- 93.991046 117.8
[M]+ 73.015831 106.1
[M]- 73.016929 106.1
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