CID 116861040

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

Structural Information

Molecular Formula

C₁₂H₂₆N₂O₂

SMILES

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

InChI

InChI=1S/C12H26N2O2/c1-11(2,3)7-9(8-13)14-10(15)16-12(4,5)6/h9H,7-8,13H2,1-6H3,(H,14,15)

InChIKey

QSBBCCXGVCVZEV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.19943 Da
Monoisotopic Mass: 2.1
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	159.1
[M+Na]+	253.188648	163.1
[M-H]-	229.192154	158.6
[M+NH4]+	248.233253	176.8
[M+K]+	269.162588	163.2
[M+H-H2O]+	213.196690	154.1
[M+HCOO]-	275.197631	178.0
[M+CH3COO]-	289.213281	197.3
[M+Na-2H]-	251.174096	161.6
[M]+	230.19888142	159.5
[M]-	230.19997858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.