CID 129920927

100383-73-1

Structural Information

Molecular Formula
C9H16ClN
SMILES
C1CN2CCC1C(C2)CCCl
InChI
InChI=1S/C9H16ClN/c10-4-1-9-7-11-5-2-8(9)3-6-11/h8-9H,1-7H2
InChIKey
IGBNYQRUPZGWRZ-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.09712 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10440 137.9
[M+Na]+ 196.08634 142.9
[M-H]- 172.08984 133.0
[M+NH4]+ 191.13094 162.2
[M+K]+ 212.06028 139.4
[M+H-H2O]+ 156.09438 133.6
[M+HCOO]- 218.09532 144.4
[M+CH3COO]- 232.11097 148.3
[M+Na-2H]- 194.07179 148.4
[M]+ 173.09657 139.3
[M]- 173.09767 139.3
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

No patent data available for this compound.