CID 6433470

2-nitro-2-heptene

Structural Information

Molecular Formula
C7H13NO2
SMILES
CCCC/C=C(/C)\[N+](=O)[O-]
InChI
InChI=1S/C7H13NO2/c1-3-4-5-6-7(2)8(9)10/h6H,3-5H2,1-2H3/b7-6-
InChIKey
OATTWGKMHVDFLJ-SREVYHEPSA-N
Compound name
(Z)-2-nitrohept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 130.8
[M+Na]+ 166.08386 141.6
[M+NH4]+ 161.12846 138.5
[M+K]+ 182.05780 138.5
[M-H]- 142.08736 131.4
[M+Na-2H]- 164.06931 134.0
[M]+ 143.09409 132.2
[M]- 143.09519 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.