CID 69650

N,n'-di-tert-butylcarbodiimide

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

CC(C)(C)N=C=NC(C)(C)C

InChI

InChI=1S/C9H18N2/c1-8(2,3)10-7-11-9(4,5)6/h1-6H3

InChIKey

IDVWLLCLTVBSCS-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2584
Patents: 154.147 Da
Monoisotopic Mass: 3.0
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]+	155.15428	138.7
[M+Na]+	177.13622	147.8
[M+NH4]+	172.18082	146.4
[M+K]+	193.11016	142.5
[M-H]-	153.13972	139.0
[M+Na-2H]-	175.12167	143.1
[M]+	154.14645	140.0
[M]-	154.14755	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe