CID 116898

1-nitro-1-tridecene

Structural Information

Molecular Formula
C13H25NO2
SMILES
CCCCCCCCCCCC=C[N+](=O)[O-]
InChI
InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h12-13H,2-11H2,1H3
InChIKey
FQVYCQNAJYLLDY-UHFFFAOYSA-N
Compound name
1-nitrotridec-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

227.18852 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.195796 161.2
[M+Na]+ 250.177738 165.2
[M-H]- 226.181244 160.3
[M+NH4]+ 245.222343 178.9
[M+K]+ 266.151678 158.8
[M+H-H2O]+ 210.185780 160.0
[M+HCOO]- 272.186721 184.2
[M+CH3COO]- 286.202371 188.3
[M+Na-2H]- 248.163186 165.0
[M]+ 227.18797142 163.3
[M]- 227.18906858 163.3
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

patents stripe