CID 116898

1-tridecene, 1-nitro-

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]+ 228.19580 161.2
[M+Na]+ 250.17774 165.2
[M-H]- 226.18124 160.3
[M+NH4]+ 245.22234 178.9
[M+K]+ 266.15168 158.8
[M+H-H2O]+ 210.18578 160.0
[M+HCOO]- 272.18672 184.2
[M+CH3COO]- 286.20237 188.3
[M+Na-2H]- 248.16319 165.0
[M]+ 227.18797 163.3
[M]- 227.18907 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