CID 279800

Di-tert-butyl iminodicarboxylate

Structural Information

Molecular Formula

C₁₀H₁₉NO₄

SMILES

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

InChI

InChI=1S/C10H19NO4/c1-9(2,3)14-7(12)11-8(13)15-10(4,5)6/h1-6H3,(H,11,12,13)

InChIKey

XCAQIUOFDMREBA-UHFFFAOYSA-N

Compound name

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3523
Patents: 217.13141 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]+	218.13869	150.2
[M+Na]+	240.12063	156.6
[M+NH4]+	235.16523	154.9
[M+K]+	256.09457	155.3
[M-H]-	216.12413	146.6
[M+Na-2H]-	238.10608	151.0
[M]+	217.13086	149.7
[M]-	217.13196	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe