CID 99158

73825-66-8

Structural Information

Molecular Formula
C16H28N2
SMILES
C1CCC(CC1)NCC#CCNC2CCCCC2
InChI
InChI=1S/C16H28N2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h15-18H,1-6,9-14H2
InChIKey
JQWHLLPKEHHOJP-UHFFFAOYSA-N
Compound name
N,N'-dicyclohexylbut-2-yne-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.22525 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.232526 161.0
[M+Na]+ 271.214468 163.2
[M-H]- 247.217974 163.0
[M+NH4]+ 266.259073 174.9
[M+K]+ 287.188408 156.7
[M+H-H2O]+ 231.222510 147.4
[M+HCOO]- 293.223451 173.0
[M+CH3COO]- 307.239101 203.5
[M+Na-2H]- 269.199916 162.2
[M]+ 248.22470142 145.8
[M]- 248.22579858 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.