CID 15459053

Schembl366444

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CC(C)C(CN)C(C)C

InChI

InChI=1S/C8H19N/c1-6(2)8(5-9)7(3)4/h6-8H,5,9H2,1-4H3

InChIKey

YZMPGOSLRRXMSC-UHFFFAOYSA-N

Compound name

3-methyl-2-propan-2-ylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 96
References: 12629
Patents: 129.15175 Da
Monoisotopic Mass: 2.2
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]+	130.15903	134.2
[M+Na]+	152.14097	139.0
[M-H]-	128.14447	133.8
[M+NH4]+	147.18557	155.8
[M+K]+	168.11491	139.3
[M+H-H2O]+	112.14901	129.4
[M+HCOO]-	174.14995	154.7
[M+CH3COO]-	188.16560	180.0
[M+Na-2H]-	150.12642	135.4
[M]+	129.15120	132.3
[M]-	129.15230	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe