CID 61429987

2230803-26-4

Structural Information

Molecular Formula

C₁₁H₂₃N₃O₂

SMILES

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

InChI

InChI=1S/C11H23N3O2/c1-10(2,3)7(8(12)13)14-9(15)16-11(4,5)6/h7H,1-6H3,(H3,12,13)(H,14,15)

InChIKey

WDACXJOFTRPCLP-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-amino-1-imino-3,3-dimethylbutan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.17903 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]+	230.186306	156.4
[M+Na]+	252.168248	160.0
[M-H]-	228.171754	156.1
[M+NH4]+	247.212853	173.5
[M+K]+	268.142188	160.5
[M+H-H2O]+	212.176290	151.3
[M+HCOO]-	274.177231	175.8
[M+CH3COO]-	288.192881	199.4
[M+Na-2H]-	250.153696	158.5
[M]+	229.17848142	154.2
[M]-	229.17957858	154.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.