CID 527131

(hexan-2-yl)(methyl)amine

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CCCCC(C)NC

InChI

InChI=1S/C7H17N/c1-4-5-6-7(2)8-3/h7-8H,4-6H2,1-3H3

InChIKey

SUOSRAKKOYHQBX-UHFFFAOYSA-N

Compound name

N-methylhexan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 437
Patents: 115.1361 Da
Monoisotopic Mass: 2.0
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	133.9
[M-H]-	114.128824	128.4
[M+NH4]+	133.169923	150.8
[M+K]+	154.099258	133.9
[M+H-H2O]+	98.133360	123.4
[M+HCOO]-	160.134301	151.6
[M+CH3COO]-	174.149951	175.9
[M+Na-2H]-	136.110766	133.7
[M]+	115.13555142	128.4
[M]-	115.13664858	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe