CID 102025

Di-o-tolylcarbodiimide

Structural Information

Molecular Formula
C15H14N2
SMILES
CC1=CC=CC=C1N=C=NC2=CC=CC=C2C
InChI
InChI=1S/C15H14N2/c1-12-7-3-5-9-14(12)16-11-17-15-10-6-4-8-13(15)2/h3-10H,1-2H3
InChIKey
JCNCSCMYYGONLU-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1637
Patents

222.11569 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12297 151.5
[M+Na]+ 245.10491 166.8
[M+NH4]+ 240.14951 161.2
[M+K]+ 261.07885 157.0
[M-H]- 221.10841 158.8
[M+Na-2H]- 243.09036 162.9
[M]+ 222.11514 155.9
[M]- 222.11624 155.9
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