CID 59523595

2839158-31-3

Structural Information

Molecular Formula

C₁₁H₂₃NO₂

SMILES

CC(C)(C)OC(=O)CCCCCNC

InChI

InChI=1S/C11H23NO2/c1-11(2,3)14-10(13)8-6-5-7-9-12-4/h12H,5-9H2,1-4H3

InChIKey

IPZCMFNGJGGOKN-UHFFFAOYSA-N

Compound name

tert-butyl 6-(methylamino)hexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 201.17288 Da
Monoisotopic Mass: 1.7
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]+	202.18016	151.2
[M+Na]+	224.16210	156.1
[M-H]-	200.16560	151.0
[M+NH4]+	219.20670	170.5
[M+K]+	240.13604	155.8
[M+H-H2O]+	184.17014	146.0
[M+HCOO]-	246.17108	172.6
[M+CH3COO]-	260.18673	190.0
[M+Na-2H]-	222.14755	155.3
[M]+	201.17233	154.5
[M]-	201.17343	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe