CID 3078291

Brn 5740308

Structural Information

Molecular Formula

C₁₃H₁₉N₃

SMILES

CC(C)CC1=CC=C(C=C1)NC2=NCCN2

InChI

InChI=1S/C13H19N3/c1-10(2)9-11-3-5-12(6-4-11)16-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H2,14,15,16)

InChIKey

VKSYBUBFDSVUQC-UHFFFAOYSA-N

Compound name

N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.1579 Da
Monoisotopic Mass: 2.5
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]+	218.165176	151.6
[M+Na]+	240.147118	157.0
[M-H]-	216.150624	154.0
[M+NH4]+	235.191723	168.1
[M+K]+	256.121058	153.0
[M+H-H2O]+	200.155160	143.1
[M+HCOO]-	262.156101	171.7
[M+CH3COO]-	276.171751	188.2
[M+Na-2H]-	238.132566	154.8
[M]+	217.15735142	147.9
[M]-	217.15844858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.