CID 12372890

98630-32-1

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CC(C)CNC(C)C

InChI

InChI=1S/C7H17N/c1-6(2)5-8-7(3)4/h6-8H,5H2,1-4H3

InChIKey

PHQYHKHLCPPXKT-UHFFFAOYSA-N

Compound name

2-methyl-N-propan-2-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1807
Patents: 115.1361 Da
Monoisotopic Mass: 1.9
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]+	116.14338	128.7
[M+Na]+	138.12532	134.1
[M-H]-	114.12882	128.9
[M+NH4]+	133.16992	151.2
[M+K]+	154.09926	134.6
[M+H-H2O]+	98.133360	124.0
[M+HCOO]-	160.13430	151.1
[M+CH3COO]-	174.14995	176.8
[M+Na-2H]-	136.11077	132.9
[M]+	115.13555	128.2
[M]-	115.13665	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe