CID 14978083

[(e)-2-nitroethenyl]cyclopropane

Structural Information

Molecular Formula
C5H7NO2
SMILES
C1CC1/C=C/[N+](=O)[O-]
InChI
InChI=1S/C5H7NO2/c7-6(8)4-3-5-1-2-5/h3-5H,1-2H2/b4-3+
InChIKey
IPCAGMYVDOFLFU-ONEGZZNKSA-N
Compound name
[(E)-2-nitroethenyl]cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

113.047676 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 117.5
[M+Na]+ 136.036894 126.7
[M-H]- 112.040400 122.5
[M+NH4]+ 131.081499 134.8
[M+K]+ 152.010834 121.1
[M+H-H2O]+ 96.044936 116.8
[M+HCOO]- 158.045877 143.5
[M+CH3COO]- 172.061527 166.3
[M+Na-2H]- 134.022342 126.5
[M]+ 113.04712742 117.8
[M]- 113.04822458 117.8
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