CID 58904347

(s)-4,4-dimethylpentan-2-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

C[C@@H](CC(C)(C)C)N

InChI

InChI=1S/C7H17N/c1-6(8)5-7(2,3)4/h6H,5,8H2,1-4H3/t6-/m0/s1

InChIKey

XAVBRZMHQJCGDI-LURJTMIESA-N

Compound name

(2S)-4,4-dimethylpentan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 115.1361 Da
Monoisotopic Mass: 1.8
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]+	116.143376	128.2
[M+Na]+	138.125318	134.5
[M-H]-	114.128824	128.2
[M+NH4]+	133.169923	150.7
[M+K]+	154.099258	134.5
[M+H-H2O]+	98.133360	124.2
[M+HCOO]-	160.134301	149.5
[M+CH3COO]-	174.149951	174.8
[M+Na-2H]-	136.110766	133.2
[M]+	115.13555142	126.8
[M]-	115.13664858	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe