CID 4456488

Di-tert-amylamine

Structural Information

Molecular Formula

C₁₀H₂₃N

SMILES

CCC(C)(C)NC(C)(C)CC

InChI

InChI=1S/C10H23N/c1-7-9(3,4)11-10(5,6)8-2/h11H,7-8H2,1-6H3

InChIKey

SNHZNFDWSYMNDN-UHFFFAOYSA-N

Compound name

2-methyl-N-(2-methylbutan-2-yl)butan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1830
Patents: 157.18304 Da
Monoisotopic Mass: 2.8
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]+	158.190316	140.4
[M+Na]+	180.172258	146.1
[M-H]-	156.175764	140.6
[M+NH4]+	175.216863	161.7
[M+K]+	196.146198	145.6
[M+H-H2O]+	140.180300	136.4
[M+HCOO]-	202.181241	160.8
[M+CH3COO]-	216.196891	185.0
[M+Na-2H]-	178.157706	147.0
[M]+	157.18249142	141.4
[M]-	157.18358858	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe