CID 410533

N-(2-chloroethyl)cyclohexanamine

Structural Information

Molecular Formula
C8H16ClN
SMILES
C1CCC(CC1)NCCCl
InChI
InChI=1S/C8H16ClN/c9-6-7-10-8-4-2-1-3-5-8/h8,10H,1-7H2
InChIKey
VTPRDLVZYOBVJI-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

161.09712 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.104396 135.9
[M+Na]+ 184.086338 140.4
[M-H]- 160.089844 138.1
[M+NH4]+ 179.130943 156.9
[M+K]+ 200.060278 137.4
[M+H-H2O]+ 144.094380 130.9
[M+HCOO]- 206.095321 152.8
[M+CH3COO]- 220.110971 178.1
[M+Na-2H]- 182.071786 141.3
[M]+ 161.09657142 132.2
[M]- 161.09766858 132.2
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

patents stripe