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

None

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 67
References: 103098
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]+	127.12298	129.0
[M+Na]+	149.10492	135.2
[M-H]-	125.10842	132.2
[M+NH4]+	144.14952	152.1
[M+K]+	165.07886	136.3
[M+H-H2O]+	109.11296	123.5
[M+HCOO]-	171.11390	155.9
[M+CH3COO]-	185.12955	183.8
[M+Na-2H]-	147.09037	134.5
[M]+	126.11515	130.0
[M]-	126.11625	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe