CID 113777

Quinuclidine, 2-(chloromethyl)-, hydrochloride

Structural Information

Molecular Formula
C8H14ClN
SMILES
C1CN2CCC1CC2CCl
InChI
InChI=1S/C8H14ClN/c9-6-8-5-7-1-3-10(8)4-2-7/h7-8H,1-6H2
InChIKey
PCZSLYJHCISCBX-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

159.08148 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe