CID 19819729

1-(propan-2-yl)-2,5-dihydro-1h-pyrrole

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CC(C)N1CC=CC1

InChI

InChI=1S/C7H13N/c1-7(2)8-5-3-4-6-8/h3-4,7H,5-6H2,1-2H3

InChIKey

MXJXGVAHWNWPHD-UHFFFAOYSA-N

Compound name

1-propan-2-yl-2,5-dihydropyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 148
Patents: 111.1048 Da
Monoisotopic Mass: 1.3
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]+	112.11208	124.0
[M+Na]+	134.09402	134.9
[M+NH4]+	129.13862	133.3
[M+K]+	150.06796	130.7
[M-H]-	110.09752	125.4
[M+Na-2H]-	132.07947	129.7
[M]+	111.10425	125.8
[M]-	111.10535	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe