CID 534297

5-nitropent-1-ene

Structural Information

Molecular Formula
C5H9NO2
SMILES
C=CCCC[N+](=O)[O-]
InChI
InChI=1S/C5H9NO2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2
InChIKey
NPFOLTHIKZSVPQ-UHFFFAOYSA-N
Compound name
5-nitropent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

115.06333 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 122.5
[M+Na]+ 138.052548 129.9
[M-H]- 114.056054 123.1
[M+NH4]+ 133.097153 144.6
[M+K]+ 154.026488 125.6
[M+H-H2O]+ 98.060590 123.0
[M+HCOO]- 160.061531 148.2
[M+CH3COO]- 174.077181 164.4
[M+Na-2H]- 136.037996 130.8
[M]+ 115.06278142 121.8
[M]- 115.06387858 121.8
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