CID 6433468

4-nitro-3-heptene

Structural Information

Molecular Formula
C7H13NO2
SMILES
CCC/C(=C/CC)/[N+](=O)[O-]
InChI
InChI=1S/C7H13NO2/c1-3-5-7(6-4-2)8(9)10/h5H,3-4,6H2,1-2H3/b7-5-
InChIKey
VCYHLUUGOMPZTB-ALCCZGGFSA-N
Compound name
(Z)-4-nitrohept-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.