CID 13259909

3-(chloromethyl)-1-azabicyclo[2.2.2]octane hydrochloride

Structural Information

Molecular Formula
C8H14ClN
SMILES
C1CN2CCC1C(C2)CCl
InChI
InChI=1S/C8H14ClN/c9-5-8-6-10-3-1-7(8)2-4-10/h7-8H,1-6H2
InChIKey
KWJQNPSDSCTDIZ-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

159.08148 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08876 133.2
[M+Na]+ 182.07070 138.6
[M-H]- 158.07420 128.4
[M+NH4]+ 177.11530 158.1
[M+K]+ 198.04464 135.3
[M+H-H2O]+ 142.07874 129.1
[M+HCOO]- 204.07968 140.1
[M+CH3COO]- 218.09533 144.0
[M+Na-2H]- 180.05615 144.3
[M]+ 159.08093 134.3
[M]- 159.08203 134.3
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