CID 535904

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

Structural Information

Molecular Formula
C8H14ClN
SMILES
C1CN2CCC1(CC2)CCl
InChI
InChI=1S/C8H14ClN/c9-7-8-1-4-10(5-2-8)6-3-8/h1-7H2
InChIKey
PXFIDFXVRYOBFQ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 133.9
[M+Na]+ 182.07070 139.5
[M-H]- 158.07420 129.2
[M+NH4]+ 177.11530 160.5
[M+K]+ 198.04464 136.1
[M+H-H2O]+ 142.07874 129.4
[M+HCOO]- 204.07968 140.8
[M+CH3COO]- 218.09533 144.8
[M+Na-2H]- 180.05615 146.4
[M]+ 159.08093 134.8
[M]- 159.08203 134.8
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