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
6
Annotation Hits

1660
References

170303
Patents

206.1783 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.18558 152.7
[M+Na]+ 229.16752 161.9
[M+NH4]+ 224.21212 162.3
[M+K]+ 245.14146 153.5
[M-H]- 205.17102 158.7
[M+Na-2H]- 227.15297 159.4
[M]+ 206.17775 155.4
[M]- 206.17885 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe