CID 52888

74038-79-2

Structural Information

Molecular Formula

C₁₉H₃₈N₂

SMILES

CCCCCCCCCCCC1=NC(CN1C(C)C)(C)C

InChI

InChI=1S/C19H38N2/c1-6-7-8-9-10-11-12-13-14-15-18-20-19(4,5)16-21(18)17(2)3/h17H,6-16H2,1-5H3

InChIKey

WWLAQXMQQFPUOQ-UHFFFAOYSA-N

Compound name

5,5-dimethyl-3-propan-2-yl-2-undecyl-4H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 294.3035 Da
Monoisotopic Mass: 6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.31078	178.7
[M+Na]+	317.29272	183.3
[M-H]-	293.29622	178.2
[M+NH4]+	312.33732	195.9
[M+K]+	333.26666	180.0
[M+H-H2O]+	277.30076	171.2
[M+HCOO]-	339.30170	195.7
[M+CH3COO]-	353.31735	209.8
[M+Na-2H]-	315.27817	176.9
[M]+	294.30295	183.0
[M]-	294.30405	183.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe