CID 4168961

1-(p-tolyl)-3-pyrroline

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

CC1=CC=C(C=C1)N2CC=CC2

InChI

InChI=1S/C11H13N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2-7H,8-9H2,1H3

InChIKey

KIITUZZYCWZRQM-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)-2,5-dihydropyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 159.1048 Da
Monoisotopic Mass: 2.6
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]+	160.112076	133.2
[M+Na]+	182.094018	141.1
[M-H]-	158.097524	138.6
[M+NH4]+	177.138623	154.5
[M+K]+	198.067958	138.3
[M+H-H2O]+	142.102060	126.2
[M+HCOO]-	204.103001	156.7
[M+CH3COO]-	218.118651	147.2
[M+Na-2H]-	180.079466	138.7
[M]+	159.10425142	131.5
[M]-	159.10534858	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe