CID 6433465

3-nitro-3-octene

Structural Information

Molecular Formula
C8H15NO2
SMILES
CCCC/C=C(/CC)\[N+](=O)[O-]
InChI
InChI=1S/C8H15NO2/c1-3-5-6-7-8(4-2)9(10)11/h7H,3-6H2,1-2H3/b8-7-
InChIKey
WXCHLANPJRZEII-FPLPWBNLSA-N
Compound name
(Z)-3-nitrooct-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 137.1
[M+Na]+ 180.09950 143.1
[M-H]- 156.10300 137.3
[M+NH4]+ 175.14410 157.6
[M+K]+ 196.07344 138.4
[M+H-H2O]+ 140.10754 137.1
[M+HCOO]- 202.10848 160.9
[M+CH3COO]- 216.12413 173.6
[M+Na-2H]- 178.08495 142.5
[M]+ 157.10973 136.8
[M]- 157.11083 136.8
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.