CID 85582

2-undecyl-1h-imidazole

Structural Information

Molecular Formula
C14H26N2
SMILES
CCCCCCCCCCCC1=NC=CN1
InChI
InChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h12-13H,2-11H2,1H3,(H,15,16)
InChIKey
LLEASVZEQBICSN-UHFFFAOYSA-N
Compound name
2-undecyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

20545
Patents

222.2096 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.216876 157.9
[M+Na]+ 245.198818 162.6
[M-H]- 221.202324 155.9
[M+NH4]+ 240.243423 174.6
[M+K]+ 261.172758 158.7
[M+H-H2O]+ 205.206860 149.6
[M+HCOO]- 267.207801 177.3
[M+CH3COO]- 281.223451 189.3
[M+Na-2H]- 243.184266 160.4
[M]+ 222.20905142 159.4
[M]- 222.21014858 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe