CID 521020

4104-44-3

Structural Information

Molecular Formula

C₆H₁₅N

SMILES

CC(C)CCNC

InChI

InChI=1S/C6H15N/c1-6(2)4-5-7-3/h6-7H,4-5H2,1-3H3

InChIKey

QSOCODZVGPDGDA-UHFFFAOYSA-N

Compound name

N,3-dimethylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1833
Patents: 101.12045 Da
Monoisotopic Mass: 1.5
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]+	102.127726	123.5
[M+Na]+	124.109668	129.6
[M-H]-	100.113174	123.9
[M+NH4]+	119.154273	146.7
[M+K]+	140.083608	129.9
[M+H-H2O]+	84.117710	119.0
[M+HCOO]-	146.118651	147.3
[M+CH3COO]-	160.134301	172.9
[M+Na-2H]-	122.095116	129.6
[M]+	101.11990142	123.3
[M]-	101.12099858	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe