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

31
Patents

161.09712 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10440 135.9
[M+Na]+ 184.08634 140.4
[M-H]- 160.08984 138.1
[M+NH4]+ 179.13094 156.9
[M+K]+ 200.06028 137.4
[M+H-H2O]+ 144.09438 130.9
[M+HCOO]- 206.09532 152.8
[M+CH3COO]- 220.11097 178.1
[M+Na-2H]- 182.07179 141.3
[M]+ 161.09657 132.2
[M]- 161.09767 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