CID 96945

2-(n-propylformimidoyl)pyrrole

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CCCN=CC1=CC=CN1

InChI

InChI=1S/C8H12N2/c1-2-5-9-7-8-4-3-6-10-8/h3-4,6-7,10H,2,5H2,1H3

InChIKey

KDZPOJUENUSECI-UHFFFAOYSA-N

Compound name

N-propyl-1-(1H-pyrrol-2-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 136.10005 Da
Monoisotopic Mass: 1.5
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]+	137.10733	128.8
[M+Na]+	159.08927	136.0
[M-H]-	135.09277	130.8
[M+NH4]+	154.13387	150.7
[M+K]+	175.06321	134.0
[M+H-H2O]+	119.09731	122.2
[M+HCOO]-	181.09825	154.3
[M+CH3COO]-	195.11390	174.3
[M+Na-2H]-	157.07472	135.5
[M]+	136.09950	128.0
[M]-	136.10060	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe