CID 131117735

Tert-butyl n-(1-amino-3,4-dimethylpentan-2-yl)carbamate

Structural Information

Molecular Formula

C₁₂H₂₆N₂O₂

SMILES

CC(C)C(C)C(CN)NC(=O)OC(C)(C)C

InChI

InChI=1S/C12H26N2O2/c1-8(2)9(3)10(7-13)14-11(15)16-12(4,5)6/h8-10H,7,13H2,1-6H3,(H,14,15)

InChIKey

MJFPHLGXBDGXKH-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-amino-3,4-dimethylpentan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.19943 Da
Monoisotopic Mass: 2.2
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]+	231.206706	160.4
[M+Na]+	253.188648	163.5
[M-H]-	229.192154	159.7
[M+NH4]+	248.233253	177.7
[M+K]+	269.162588	164.2
[M+H-H2O]+	213.196690	154.9
[M+HCOO]-	275.197631	178.9
[M+CH3COO]-	289.213281	199.3
[M+Na-2H]-	251.174096	159.4
[M]+	230.19888142	160.1
[M]-	230.19997858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.