CID 90326

23996-16-9

Structural Information

Molecular Formula
C17H29N3
SMILES
CCCCCCCCCCCC1=NC=CN1CCC#N
InChI
InChI=1S/C17H29N3/c1-2-3-4-5-6-7-8-9-10-12-17-19-14-16-20(17)15-11-13-18/h14,16H,2-12,15H2,1H3
InChIKey
SZUPZARBRLCVCB-UHFFFAOYSA-N
Compound name
3-(2-undecylimidazol-1-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11655
Patents

275.23615 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.24343 162.9
[M+Na]+ 298.22537 169.5
[M-H]- 274.22887 161.7
[M+NH4]+ 293.26997 176.6
[M+K]+ 314.19931 165.2
[M+H-H2O]+ 258.23341 147.2
[M+HCOO]- 320.23435 179.5
[M+CH3COO]- 334.25000 213.1
[M+Na-2H]- 296.21082 164.2
[M]+ 275.23560 162.1
[M]- 275.23670 162.1
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