CID 27291

2-propyl-2-imidazoline

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CCCC1=NCCN1

InChI

InChI=1S/C6H12N2/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3,(H,7,8)

InChIKey

LFCYHAXVBWPGQR-UHFFFAOYSA-N

Compound name

2-propyl-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 279
Patents: 112.10005 Da
Monoisotopic Mass: 0.1
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]+	113.10733	124.0
[M+Na]+	135.08927	134.6
[M+NH4]+	130.13387	132.3
[M+K]+	151.06321	130.4
[M-H]-	111.09277	124.1
[M+Na-2H]-	133.07472	129.2
[M]+	112.09950	125.3
[M]-	112.10060	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe