CID 58185

101107-42-0

Structural Information

Molecular Formula
C15H27Cl2N
SMILES
C1CCC(CC1)N(CC(CCl)Cl)C2CCCCC2
InChI
InChI=1S/C15H27Cl2N/c16-11-13(17)12-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h13-15H,1-12H2
InChIKey
TXXMYKHMSBYULU-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N-(2,3-dichloropropyl)cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.15207 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15935 172.1
[M+Na]+ 314.14129 172.3
[M-H]- 290.14479 176.2
[M+NH4]+ 309.18589 188.0
[M+K]+ 330.11523 167.7
[M+H-H2O]+ 274.14933 165.3
[M+HCOO]- 336.15027 178.3
[M+CH3COO]- 350.16592 204.4
[M+Na-2H]- 312.12674 170.3
[M]+ 291.15152 166.2
[M]- 291.15262 166.2
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.