CID 112756260

(2-methylpentan-2-yl)(thiophen-2-ylmethyl)amine

Structural Information

Molecular Formula

C₁₁H₁₉NS

SMILES

CCCC(C)(C)NCC1=CC=CS1

InChI

InChI=1S/C11H19NS/c1-4-7-11(2,3)12-9-10-6-5-8-13-10/h5-6,8,12H,4,7,9H2,1-3H3

InChIKey

PRRGDTRBNKCBSE-UHFFFAOYSA-N

Compound name

2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.12383 Da
Monoisotopic Mass: 2.9
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]+	198.131106	147.0
[M+Na]+	220.113048	153.5
[M-H]-	196.116554	150.5
[M+NH4]+	215.157653	168.7
[M+K]+	236.086988	150.8
[M+H-H2O]+	180.121090	141.4
[M+HCOO]-	242.122031	165.8
[M+CH3COO]-	256.137681	186.5
[M+Na-2H]-	218.098496	149.4
[M]+	197.12328142	149.4
[M]-	197.12437858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.