CID 3044985

Brn 0885064

Structural Information

Molecular Formula

C₁₄H₁₇N₃

SMILES

CC1=CN=C(N1C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C14H17N3/c1-12-11-15-14(16-9-5-6-10-16)17(12)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3

InChIKey

INFKGYSXELZALS-UHFFFAOYSA-N

Compound name

5-methyl-1-phenyl-2-pyrrolidin-1-ylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 227.14224 Da
Monoisotopic Mass: 3.0
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]+	228.14952	152.0
[M+Na]+	250.13146	159.6
[M-H]-	226.13496	157.9
[M+NH4]+	245.17606	169.2
[M+K]+	266.10540	155.7
[M+H-H2O]+	210.13950	142.3
[M+HCOO]-	272.14044	172.5
[M+CH3COO]-	286.15609	164.0
[M+Na-2H]-	248.11691	153.1
[M]+	227.14169	149.6
[M]-	227.14279	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe