CID 23105636

60964-49-0

Structural Information

Molecular Formula
C12H22N2
SMILES
CCCCCCCCN1C=CN=C1C
InChI
InChI=1S/C12H22N2/c1-3-4-5-6-7-8-10-14-11-9-13-12(14)2/h9,11H,3-8,10H2,1-2H3
InChIKey
OWOSSTCHCATHMM-UHFFFAOYSA-N
Compound name
2-methyl-1-octylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

194.1783 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.185576 148.1
[M+Na]+ 217.167518 155.1
[M-H]- 193.171024 148.3
[M+NH4]+ 212.212123 167.1
[M+K]+ 233.141458 152.7
[M+H-H2O]+ 177.175560 140.4
[M+HCOO]- 239.176501 169.7
[M+CH3COO]- 253.192151 187.1
[M+Na-2H]- 215.152966 151.5
[M]+ 194.17775142 151.2
[M]- 194.17884858 151.2
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