CID 76321

2978-67-8

Structural Information

Molecular Formula

C₆H₁₅N

SMILES

CCC(C)(C)NC

InChI

InChI=1S/C6H15N/c1-5-6(2,3)7-4/h7H,5H2,1-4H3

InChIKey

BUJFTKPQXSIZFX-UHFFFAOYSA-N

Compound name

N,2-dimethylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 721
Patents: 101.12045 Da
Monoisotopic Mass: 1.3
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]+	102.12773	122.7
[M+Na]+	124.10967	129.6
[M-H]-	100.11317	123.3
[M+NH4]+	119.15427	146.1
[M+K]+	140.08361	129.8
[M+H-H2O]+	84.117710	118.8
[M+HCOO]-	146.11865	146.0
[M+CH3COO]-	160.13430	172.3
[M+Na-2H]-	122.09512	130.7
[M]+	101.11990	122.7
[M]-	101.12100	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe