CID 3015773

35399-81-6

Structural Information

Molecular Formula

C₆H₁₅N

SMILES

CCC(C)C(C)N

InChI

InChI=1S/C6H15N/c1-4-5(2)6(3)7/h5-6H,4,7H2,1-3H3

InChIKey

ZFAGOADKDXXTSV-UHFFFAOYSA-N

Compound name

3-methylpentan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1637
Patents: 101.12045 Da
Monoisotopic Mass: 1.4
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	124.5
[M+Na]+	124.109668	130.4
[M-H]-	100.113174	124.5
[M+NH4]+	119.154273	147.3
[M+K]+	140.083608	130.8
[M+H-H2O]+	84.117710	120.0
[M+HCOO]-	146.118651	146.7
[M+CH3COO]-	160.134301	173.0
[M+Na-2H]-	122.095116	128.2
[M]+	101.11990142	122.6
[M]-	101.12099858	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe