CID 146157665

1792203-37-2

Structural Information

Molecular Formula

C₁₂H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)N(C)CCCCCCN

InChI

InChI=1S/C12H26N2O2/c1-12(2,3)16-11(15)14(4)10-8-6-5-7-9-13/h5-10,13H2,1-4H3

InChIKey

GYXNCWAHCNJRLW-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-aminohexyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 230.19943 Da
Monoisotopic Mass: 1.6
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]+	231.20671	160.0
[M+Na]+	253.18865	163.9
[M-H]-	229.19215	160.6
[M+NH4]+	248.23325	178.2
[M+K]+	269.16259	164.4
[M+H-H2O]+	213.19669	154.0
[M+HCOO]-	275.19763	182.0
[M+CH3COO]-	289.21328	200.1
[M+Na-2H]-	251.17410	162.0
[M]+	230.19888	163.0
[M]-	230.19998	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe