CID 3082128

2-methyl-3-amylpyrrole

Structural Information

Molecular Formula

C₁₀H₁₇N

SMILES

CCCCCC1=C(NC=C1)C

InChI

InChI=1S/C10H17N/c1-3-4-5-6-10-7-8-11-9(10)2/h7-8,11H,3-6H2,1-2H3

InChIKey

PEWCJTLDYTZPGN-UHFFFAOYSA-N

Compound name

2-methyl-3-pentyl-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 11
Patents: 151.1361 Da
Monoisotopic Mass: 3.5
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]+	152.143376	135.4
[M+Na]+	174.125318	142.8
[M-H]-	150.128824	136.1
[M+NH4]+	169.169923	156.7
[M+K]+	190.099258	140.0
[M+H-H2O]+	134.133360	129.4
[M+HCOO]-	196.134301	157.5
[M+CH3COO]-	210.149951	175.7
[M+Na-2H]-	172.110766	139.5
[M]+	151.13555142	135.3
[M]-	151.13664858	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe