CID 12734

N,n'-diisopropylcarbodiimide

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

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

InChI

InChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3

InChIKey

BDNKZNFMNDZQMI-UHFFFAOYSA-N

Compound name

N,N'-di(propan-2-yl)methanediimine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 67
References: 101450
Patents: 126.1157 Da
Monoisotopic Mass: 2.6
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]+	127.122976	129.0
[M+Na]+	149.104918	135.2
[M-H]-	125.108424	132.2
[M+NH4]+	144.149523	152.1
[M+K]+	165.078858	136.3
[M+H-H2O]+	109.112960	123.5
[M+HCOO]-	171.113901	155.9
[M+CH3COO]-	185.129551	183.8
[M+Na-2H]-	147.090366	134.5
[M]+	126.11515142	130.0
[M]-	126.11624858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe