CID 21202

5124-30-1

Structural Information

Molecular Formula
C15H22N2O2
SMILES
C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O
InChI
InChI=1S/C15H22N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h12-15H,1-9H2
InChIKey
KORSJDCBLAPZEQ-UHFFFAOYSA-N
Compound name
1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

40
References

96958
Patents

262.16812 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 161.2
[M+Na]+ 285.15734 163.3
[M-H]- 261.16084 168.5
[M+NH4]+ 280.20194 177.9
[M+K]+ 301.13128 160.9
[M+H-H2O]+ 245.16538 152.8
[M+HCOO]- 307.16632 182.8
[M+CH3COO]- 321.18197 204.1
[M+Na-2H]- 283.14279 163.1
[M]+ 262.16757 155.0
[M]- 262.16867 155.0
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