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]+ 158.117556 137.1
[M+Na]+ 180.099498 143.1
[M-H]- 156.103004 137.3
[M+NH4]+ 175.144103 157.6
[M+K]+ 196.073438 138.4
[M+H-H2O]+ 140.107540 137.1
[M+HCOO]- 202.108481 160.9
[M+CH3COO]- 216.124131 173.6
[M+Na-2H]- 178.084946 142.5
[M]+ 157.10973142 136.8
[M]- 157.11082858 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.