CID 5362749

5-nitro-4-nonene

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCCC/C(=C\CCC)/[N+](=O)[O-]
InChI
InChI=1S/C9H17NO2/c1-3-5-7-9(10(11)12)8-6-4-2/h7H,3-6,8H2,1-2H3/b9-7+
InChIKey
QTNRZJBKFAASKI-VQHVLOKHSA-N
Compound name
(E)-5-nitronon-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.7
[M+Na]+ 194.11515 150.1
[M+NH4]+ 189.15975 147.1
[M+K]+ 210.08909 146.6
[M-H]- 170.11865 140.3
[M+Na-2H]- 192.10060 142.4
[M]+ 171.12538 141.0
[M]- 171.12648 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.