CID 52887

74038-78-1

Structural Information

Molecular Formula

C₁₇H₃₄N₂

SMILES

CCCCCCCCCC1=NC(CN1C(C)C)(C)C

InChI

InChI=1S/C17H34N2/c1-6-7-8-9-10-11-12-13-16-18-17(4,5)14-19(16)15(2)3/h15H,6-14H2,1-5H3

InChIKey

XIMSIUOCATYDPG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 266.2722 Da
Monoisotopic Mass: 4.9
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]+	267.27948	169.8
[M+Na]+	289.26142	175.3
[M-H]-	265.26492	169.7
[M+NH4]+	284.30602	188.2
[M+K]+	305.23536	172.5
[M+H-H2O]+	249.26946	162.7
[M+HCOO]-	311.27040	187.5
[M+CH3COO]-	325.28605	203.9
[M+Na-2H]-	287.24687	169.1
[M]+	266.27165	173.4
[M]-	266.27275	173.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe