CID 10868

Dicyclohexylcarbodiimide

Structural Information

Molecular Formula

C₁₃H₂₂N₂

SMILES

C1CCC(CC1)N=C=NC2CCCCC2

InChI

InChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2

InChIKey

QOSSAOTZNIDXMA-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1660
References: 30277
Patents: 206.1783 Da
Monoisotopic Mass: 4.7
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]+	207.18558	148.9
[M+Na]+	229.16752	149.5
[M-H]-	205.17102	155.8
[M+NH4]+	224.21212	167.5
[M+K]+	245.14146	147.7
[M+H-H2O]+	189.17556	140.5
[M+HCOO]-	251.17650	170.3
[M+CH3COO]-	265.19215	193.2
[M+Na-2H]-	227.15297	153.0
[M]+	206.17775	139.7
[M]-	206.17885	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe